Kaempferol (CED0001547)

Record Information
Version1.0
Creation Date2014-09-11 05:16:58 UTC
Update Date2026-05-14 17:18:20 UTC
SynCED IDCED0001547
Secondary Accession Numbers
  • CHEM003752
  • T3D4795
Identification
Common NameKaempferol
ClassSmall Molecule
Description
Kaempferol (C15H10O6) is a solid with an average molecular weight of 286.24 g/mol. Kaempferol belongs to the flavones, a subclass of flavonoids within the organic compounds. This exogenous compound is classified under the superclass of phenylpropanoids and polyketides. Industrially and biologically, kaempferol serves as an antioxidant (PMC11548494 , PMC11941897 ) and is used as a softener and conditioner (PMC11548494 , PMC11941897 ). It is found in 25 recorded sources, including drinking water, indoor air, medical devices, synthetic textiles, carpets and rugs, and electrical equipment such as batteries, capacitors, printed circuit boards, wires, cables, and cell phones. It is also associated with food packaging, food contact materials, the preparation of vinegar and malt, and molasses and the treatment of molasses. Recorded exposure routes include touch, oral, and inhalation. At the molecular level, kaempferol acts as an inhibitor of the progesterone receptor (PGR), estrogen receptor (ESR1), estrogen receptor beta (ESR2), and UDP-glucuronosyltransferase 3A1 (UGT3A1), among 7 other proteins. Regarding health effects, it is associated with inflammation (PMC10008896 ). It is used as a treatment for diabetes mellitus (PMC10646315 ) and cancer (PMC7833388 ). Additionally, it has therapeutic effects on inflammation (PMC11402117 , PMC9311900 ), rheumatoid arthritis (PMC10008896 ), glioblastoma (PMC12466395 ), cancer (PMC11910587 ), breast cancer (PMC8395949 ), and colon cancer (PMC8391949 ).
Contaminant Type
  • Ester
  • Food Toxin
  • Metabolite
  • Natural Compound
  • Organic Compound
  • PFAS
  • Phytotoxin
  • Plant Toxin
Chemical Structure
Synonyms
ValueSource
3,4',5,7-TetrahydroxyflavoneChEBI
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-trihydroxyflavonolChEBI
5,7,4'-TrihydroxyflavonolChEBI
C.I. 75640ChEBI
CampherolChEBI
Indigo yellowChEBI
KaempherolChEBI
KampherolChEBI
KempferolChEBI
NimbecetinChEBI
PelargidenolonChEBI
PopulnetinChEBI
RhamnoluteinChEBI
RhamnolutinChEBI
RobigeninChEBI
SwartziolChEBI
TrifolitinChEBI
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneKegg
3,4',5,7-Tetrahydroxy-flavone (7ci,8ci)HMDB
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneHMDB
KampferolHMDB
3,4’,5,7-TetrahydroxyflavonePhytoBank
3,5,7,4'-TetrahydroxyflavonePhytoBank
3,5,7,4’-TetrahydroxyflavonePhytoBank
3'-DeoxyquercetinPhytoBank
3’-DeoxyquercetinPhytoBank
5,7,4’-TrihydroxyflavonolPhytoBank
KaemferolPhytoBank
KaempferolPhytoBank
KampcetinPhytoBank
PelargidenonPhytoBank
Chemical FormulaC15H10O6
Average Molecular Mass286.236 g/mol
Monoisotopic Mass286.048 g/mol
CAS Registry Number520-18-3
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Traditional Namekaempferol
SMILESOC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O
InChI IdentifierInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChI KeyIYRMWMYZSQPJKC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct ParentFlavonols
Alternative Parents
Substituents
  • 3-hydroxyflavone
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Monocyclic benzene moiety
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point277°C
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.18 g/LALOGPS
logP1.99ALOGPS
logP2.46ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)6.38ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74.88 m³·mol⁻¹ChemAxon
Polarizability27.59 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0079-1963700000-1d3775db7c536f63b70cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0bt9-0000290000-4a7068686e907a319864Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-000i-4290000000-ccb984ce16e32c25d878Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0079-1963700000-1d3775db7c536f63b70cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0bt9-0000290000-4a7068686e907a319864Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-052r-0590000000-3bfd778520b9c39bc4baNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0mc0-2150190000-3a2826fb2ce8460675bcNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-f0101bac1cb6491794f5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0690000000-3afcadc746823bc03ebdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v4i-5900000000-6a870572cf8a486dd6b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-4290000000-75bfe61cc0a42797e86aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-ead9f201b8c5b6b6e46eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-2bc892de84e0225a49cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1930000000-08779ff26cd586d78e41Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-0920000000-97d144af795812440c46Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-5573e7fd91cf25805a11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014s-2920000000-397e01f2d2cf07025409Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1920000000-891ca58b63b857f31594Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0090040000-5111d04af3f3d3e053c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0950000000-580cab3c0e471a3f4e00Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0950000000-580cab3c0e471a3f4e00Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-0930000000-f40d69c592d60004cae0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-0930000000-f40d69c592d60004cae0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0950000000-580cab3c0e471a3f4e00Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0091000000-295f056c177e6e49fb6bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-0930000000-f40d69c592d60004cae0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-9c05961ef763b3e7b726Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0960000000-0608a03d876cff91d3b5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-0950000000-b24a551f42825afa7f35Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0970000000-7c08fde22e6e8255346cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0890000000-52e326989e3c5afe200bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000l-0930000000-947afb7405c4ceaa009eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05ox-0920000000-5374bcae2519affb1a80Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-2bc892de84e0225a49cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1930000000-5d1efaab99e70a34f394Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1920000000-891ca58b63b857f31594Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-86e5cde4ada3f7a23a11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-4da721dda077e5912067Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0920000000-72845abdac54d84d1391Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-354b69216f94a73f8e5dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-5061447904d6c449dc2eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0zfr-0890000000-8811cbc20226d8de8613Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0zfr-0790000000-5f93b9873474bacff516Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0zfu-0790000000-4f8b73123825a041a05dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-18332c8496e4b2035755Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-4933af995ab8207eaefdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0950000000-580cab3c0e471a3f4e00Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-0930000000-f40d69c592d60004cae0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-9c05961ef763b3e7b726Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-160d6352ced9323d8a12Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-52fa8ec7c532a06c8428Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fe0-0940000000-44ac005000d078497e5dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v4i-2900000000-3974877b8590facbb784Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-8aaa90bfd2ced6cf418aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0970000000-ca953d330ffd7b6b0f26Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-1920000000-12a295288f1d670f87fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-f944cca39630d68ec835Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-940cf7849b98a1a9dcf6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-bae5a8f4a371f8f2ad02Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-9d940e3fc827408f9272Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0690000000-4ea7ac373b7544205bbaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-42ad362341b40ec16ce3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-5c6955988d1c2b57249aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-032b7b0b7736323166faNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-f78d255a84a12631f15cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-0920000000-021d122742b367db32dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-5573e7fd91cf25805a11Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014s-2920000000-397e01f2d2cf07025409Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0btc-0490000000-ffc2e801331cd50cac36Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-b9df993dd7725759db66Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02tc-0790000000-87b2eb3e987244b3d200Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0970000000-7c08fde22e6e8255346cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-9d282c4e4ecddb671bf5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0490000000-a09bea1f519717535249Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-5596be6950ad2f7d7624Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0390000000-be93211eeb95058d936eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-3ab1cb215518ffee3491Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-be124bd5a1afd19b899eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0950000000-440c8bcc82c5279dad3dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-3910000000-5dd4b5172b1faf76e432Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-bb70ae6738519f00482cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-aa48904f9608fb291d6aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v6u-3900000000-74b628f08645b8d7dc61Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0690000000-aad25af378b25e2af3c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-45c81dda62ac2ff9909fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-1208105bb02d367799ceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-89450c78214d35104eeeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0159-2900000000-12e199712edec7e02ee6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-c5b49ad9e9239048dbc9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-fd614c8eb9120b3b286aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v6u-3900000000-01ac36b777db8ded3bc3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0950000000-f97c642fec32dbf2a09dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1930000000-a9acbc3d61690ddac2b0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fe0-0940000000-eacd392c7c140ae2cd70Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-913c3584b0f92a01e8ceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-db159c9955548e9e561fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-9cf9c278fffb87cea972Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0690000000-fec760e3580fc78f5924Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-4a99b31c7b675f0a8323Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-dbe0860fe42df2daf5eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0390000000-0bc4882fba8b8b305210Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v4i-2900000000-a906b70f30807c072e25Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0950000000-4c874de655d6603f625bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0690000000-8fa2008c802a968d1de1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-0bc4882fba8b8b305210Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fb9-3910000000-a9ebf17cf4cf5b829b75Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-1d8c9342437467e36ba2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-3910000000-5b3863adfac42438f252Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-2752831e1fa79f75ad95Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-4920000000-08284d8e0ae2d40de829Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-9c05961ef763b3e7b726Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-7b8c0eb9844eed7d740cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0v4i-2900000000-726045a2c83a1f57ee7aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fe0-0940000000-7815c3f9353ab159fedeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1930000000-a49d6bd494ff6aae7870Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-066r-0930000000-f40d69c592d60004cae0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-7cc5941850b22a1ffc49Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1940000000-e75690bd3e208921812cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-4c5fee83b3395a5d9729Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0950000000-7c6d7b5d6a01937cba58Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-160d6352ced9323d8a12Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-244eb05bbd16205eeb1dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-cf3eddb1760031261987Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014l-4910000000-6c97927aa1a723a62493Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-2940000000-5a096e4af33419cfabd1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-61e299af60c8db1594d4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-ce31b95de0a605825e73Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-e5823c0b809f3cc3d423Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-fb2a89049e2b080a1754Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-3910000000-c67eb3d3d026b2bb95d7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-9313294b0cec3942ddd3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0690000000-29f18dca2da28603f4eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-cba540dd9c7ff23bc5beNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0950000000-eedf5503a21b0a50abe5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-fb9d17d63455ff79cfa5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-94f5174a03d8650e31c9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-f3240cc6f6d4d912f3b6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014l-4910000000-6ad37fd5fae185806558Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-07bf-3920000000-03c65e5c3252d1c05aeeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-385e63e9c69da8409c8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-980662023b5ec2a3e042Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0920000000-72845abdac54d84d1391Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fe0-0940000000-b7ab5bbda61703a21335Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02t9-1900000000-d61cf963b9d11dbef5abNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fb9-3910000000-80c394b71e5618ff6d24Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-0a11a7078576d84a31ccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-aebccb6e0bebc9c696efNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-896683decb1a08c8ed27Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-b8fc3ddb8c2771d84269Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0950000000-a1a79b3b20e15bb7a719Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1930000000-352981c7f578dd1e2085Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052u-1930000000-9fe4682b8d2c2fa066aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-6ad033efda4f373535fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-c62d97dfa9f57c0964b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-69ff6c91f0e47ea8296eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-bf030e6d84fe9d24a626Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0uml-2900000000-1a1b7cb319b9ebb37365Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-e2dbdd53cd35098d3662Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-51f98945ff6ac168148eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-5984a402642572c9c0c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-0a3ab20e048a1b17eab3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0950000000-e0396cb8ad7dd875b9daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-5a379234cf0350d5d68eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-2aea5cb0298eb1de4289Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-0d8eaf63d3860cdc1cbfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-3969010f013a967001daNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gbi-6790000000-5668e7d87a859b519804Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-4cba2efdae1d7d094e17Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0190000000-489c309b159fce3df0d6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-4950000000-9d8aab7149b59126c14aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-f3e102a06211e6319f3cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0590000000-d4edadcf3c18b6ef8855Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ktu-2930000000-f8d506f84bec63893fb3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-ad6070afb384abda8f3bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-43a4373dd7b08b7669d2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uy0-1930000000-af11149852312c612b4eNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, Methanol, experimental)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2799.0 Log mg/kg [1600:5000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (1)
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationAssociated With?Not AvailableNot AvailablePMC10008896 , PMC9318041
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11402117 , PMC9311900
cancerHas Therapeutic Effect OnNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC11910587 , PMC6321468
cancerNot AvailableNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC7833388 , PMC10470839
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC11646371 , PMC12430178
breast cancerHas Therapeutic Effect OnNot AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC8395949
breast cancerAssociated With?Not AvailableA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC7412346 , PMC11816923
colorectal cancerHas Therapeutic Effect OnNot AvailableA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC12343168 , PMC11816923
diabetes mellitusNot AvailableNot AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC10646315 , PMC8020812
diabetes mellitusHas Therapeutic Effect OnNot AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC10159745
rheumatoid arthritisHas Therapeutic Effect OnNot AvailableAn arthritis that is an autoimmune disease which attacks healthy cells and tissue located in joint. (DO)PMC10008896
Prostate cancerHas Therapeutic Effect OnNot AvailableA male reproductive organ cancer that is located in the prostate. (DO)PMC3670510
colon cancerHas Therapeutic Effect OnNot AvailableNot AvailablePMC8391949
colon cancerAssociated With?Not AvailableNot AvailablePMC7412346
obesityHas Therapeutic Effect OnNot AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC10159745
obesityNot AvailableNot AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC10470839
atherosclerosisNot AvailableNot AvailableA disorder involving build-up of fatty material and calcium deposition in the arterial wall. It results in partial or complete occlusion of the arterial lumen.PMC8020812
COVID-19Has Therapeutic Effect OnNot AvailableNot AvailablePMC9841859
COVID-19Not AvailableNot AvailableNot AvailablePMC9841859
glioblastomaHas Therapeutic Effect OnNot AvailableA type of brain tumor characterized by its aggressiveness and believed to originate from astrocytes.PMC12466395
cognitive impairmentHas Therapeutic Effect OnNot AvailableNot AvailablePMC11722824
memory impairmentHas Therapeutic Effect OnNot AvailableA disorder characterized by a deterioration in memory function. (NCI CTCAE)PMC11722824
hyperglycemiaHas Therapeutic Effect OnNot AvailableA disorder characterized by laboratory test results that indicate an elevation in the concentration of blood sugar. It is usually an indication of diabetes mellitus or glucose intolerance. (NCI CTCAE)PMC11314045 , PMC10159745
renal fibrosisNot AvailableNot AvailableNot AvailablePMC9152215
acute promyelocytic leukemiaHas Therapeutic Effect OnNot AvailableAn acute myeloid leukemia characterized by accumulation of promyelocytes in the bone marrow and by a translocation between chromosomes 15 and 17. (DO)PMC2712839
osteosarcomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC8434187
triple-negative breast cancerAssociated With?Not AvailableNot AvailablePMC13305355
carcinomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC8434187
ocular hypertensionHas Therapeutic Effect OnNot AvailableAn eye disease that is characterized by elevated intraocular pressure in the absence of optic nerve damage or visual field loss. (DO)PMC9311900
viral infectious diseaseAssociated With?Not AvailableNot AvailablePMC11646371
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC8253632 , PMC9311900
Oxidative StressAssociated With?Not AvailableNot AvailablePMC12343168
cardiovascular disorderAssociated With?Not AvailableNot AvailablePMC11729017
cardiovascular disorderNot AvailableNot AvailableNot AvailablePMC3005390
inflammatory diseaseNot AvailableNot AvailableNot AvailablePMC12430178
NeuroinflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11722824
Rheumatic FeverHas Therapeutic Effect OnNot AvailableNot AvailablePMC10008896
NeurodegenerationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11816923
Skin AgingHas Therapeutic Effect OnNot AvailableNot AvailablePMC11783858
Reduced sperm motilityNot AvailableNot AvailableNot AvailablePMC12491298
Immunosuppression TherapyHas Therapeutic Effect OnNot AvailableNot AvailablePMC8020812
Synovial lining hyperplasiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC10834829
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.Food, food processing & cookwarePubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwarePubChem
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.Food, food processing & cookwarePubChem
CEDs000551Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.Food, food processing & cookwarePubChem
CEDs000553Treatment Of Hops?Hops, a key ingredient in brewing and food flavoring, can be a source of synthetic chemical contamination due to various agricultural practices.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000567Tobacco Product Cases?Tobacco product cases can serve as a source of synthetic chemical contamination due to the presence of various additives and chemicals used in tobacco processing and product manufacturing.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000658Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000689Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01143DietFood, food processing & cookwarePMC3515069
CEDs01151FruitsFood, food processing & cookwarePMC11910587 , PMC7833388
CEDs01157FoodsFood, food processing & cookwarePMC10059971 , PMC4863130
CEDs01198HoneyFood, food processing & cookwarePMC9826852 , PMC13259616
CEDs01200VegetablesFood, food processing & cookwarePMC11910587 , PMC7833388
CEDs01208FruitFood, food processing & cookwarePMC11421477
CEDs01223Green TeaFood, food processing & cookwarePMC8998295 , PMC10059971
CEDs01231WinesFood, food processing & cookwarePMC13400378
CEDs01239TeaFood, food processing & cookwarePMC3620735 , PMC4665427
CEDs01305Black TeaFood, food processing & cookwarePMC6321468 , PMC12430178
CEDs01340Plant-based FoodsFood, food processing & cookwarePMC12430178
CEDs01367Red WinesFood, food processing & cookwarePMC7070704
CEDs01435Date FruitFood, food processing & cookwarePMC11649823
CEDs01495Fruit ExtractFood, food processing & cookwarePMC6017451
CEDs01606Fruit PulpFood, food processing & cookwarePMC11548494
CEDs01651Noni juiceFood, food processing & cookwarePMC11905606
CEDs01663Plant-derived FoodsFood, food processing & cookwarePMC11357572
CEDs01704Bee BreadFood, food processing & cookwarePMC11767281 , PMC11767281
CEDs01721TC juiceFood, food processing & cookwarePMC12296803 , PMC12296803
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansKnownNot Available
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A1P22309HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 1A6P19224HumansKnownNot Available
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansKnownNot Available
Aromatase structureClick to view 3D structureAromataseP11511HumansKnownNot Available
Sulfotransferase 1A3 structureClick to view 3D structureSulfotransferase 1A3P0DMM9HumansKnownNot Available
Click to view 3D structureCytochrome P450 1A1P00185RatKnownNot Available
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansKnownNot Available
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansKnownNot Available
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansKnownNot Available
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)
Prediction Confidence Score
0.83
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
139
E-value
0.0778492
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.818
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
88
E-value
0.0778492
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.818
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
77
E-value
0.0778492
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.803
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
793
E-value
0.0778492
Xanthine dehydrogenase/oxidase structureClick to view 3D structureXanthine dehydrogenase/oxidaseP47989HumansPredicted (SEA)
Prediction Confidence Score
0.803
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
37
E-value
0.0778492
Click to view 3D structureD-alanine--D-alanine ligaseQ1CTD3Helicobacter pylori (strain HPAG1)Predicted (SEA)
Prediction Confidence Score
0.784
Applicability Domain
0.784
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Pancreatic triacylglycerol lipase structureClick to view 3D structurePancreatic triacylglycerol lipaseP16233HumansKnownNot Available
Aldo-keto reductase family 1 member C21 structureClick to view 3D structureAldo-keto reductase family 1 member C21Q91WR5Mus musculusPredicted (SEA)
Prediction Confidence Score
0.784
Applicability Domain
0.784
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.783
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
1274
E-value
0.311397
Short transient receptor potential channel 5 structureClick to view 3D structureShort transient receptor potential channel 5Q9UL62HumansPredicted (SEA)
Prediction Confidence Score
0.783
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
21
E-value
0.0778492
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.772
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
553
E-value
0.155698
Click to view 3D structureInositol hexakisphosphate kinase 2Q9UHH9HumansPredicted (SEA)
Prediction Confidence Score
0.757
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
13
E-value
0.155698
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
472
E-value
0.155698
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
242
E-value
0.0778492
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
332
E-value
0.0778492
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
407
E-value
0.155698
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
histidine kinase structureClick to view 3D structurehistidine kinaseO32393Arthrospira platensisKnownNot Available
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.755
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
193
E-value
0.0778492
Protein E6 structureClick to view 3D structureProtein E6P03126Human papillomavirus type 16Predicted (SEA)
Prediction Confidence Score
0.75
Applicability Domain
0.75
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansKnownNot Available
Click to view 3D structureTyrosine-protein kinase transforming protein FpsP00530Fujinami sarcoma virusPredicted (SEA)
Prediction Confidence Score
0.75
Applicability Domain
0.75
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansKnownNot Available
Click to view 3D structure3-oxoacyl-acyl-carrier protein reductaseQ965D6Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.749
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
12
E-value
0.0778492
Inositol polyphosphate multikinase structureClick to view 3D structureInositol polyphosphate multikinaseQ8NFU5HumansPredicted (SEA)
Prediction Confidence Score
0.737
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
6
E-value
0.155698
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.735
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
84
E-value
0.233548
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P21447Mus musculusPredicted (SEA)
Prediction Confidence Score
0.733
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
23
E-value
0.0778492
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.733
Applicability Domain
0.806
Statistical Significance
2.00e-05
Supporting Reference Compounds
241
E-value
0.155698
Multidrug resistance-associated protein 1 structureClick to view 3D structureMultidrug resistance-associated protein 1P33527HumansPredicted (SEA)
Prediction Confidence Score
0.727
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
49
E-value
0.0778492
Click to view 3D structureEnoyl-acyl-carrier protein reductaseQ965D5Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.699
Applicability Domain
0.784
Statistical Significance
3.00e-05
Supporting Reference Compounds
18
E-value
0.233548
Click to view 3D structureUDP-glucuronosyltransferase 1A3P35503HumansKnownNot Available
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansKnownNot Available
Taste receptor type 2 member 14 structureClick to view 3D structureTaste receptor type 2 member 14Q9NYV8HumansKnownNot Available
Click to view 3D structureTaste receptor type 2 member 39P59534HumansKnownNot Available
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansKnownNot Available
Click to view 3D structureUDP-glucuronosyltransferase 3A1Q6NUS8HumansKnownNot Available
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansKnownNot Available
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB01852
HMDB IDHMDB0005801
FooDB IDFDB000633
Phenol Explorer ID290
KNApSAcK IDC00004565
BiGG IDNot Available
BioCyc IDCPD1F-90
METLIN IDNot Available
PDB IDKMP
Wikipedia Linkkaempferol
Chemspider ID4444395
ChEBI ID28499
PubChem Compound ID5280863
Kegg Compound IDC05903
YMDB IDYMDB01722
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSLink
General References
  1. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. http://monographs.iarc.fr/index.php