Catechin (CED0001343)

Record Information
Version1.0
Creation Date2016-05-25 18:13:01 UTC
Update Date2026-05-14 19:40:27 UTC
Accession NumberCHEM021807
Identification
Common NameCatechin
ClassSmall Molecule
Description
Catechin (C15H14O6) is an organic compound with an average molecular weight of 290.27 g/mol. Catechin belongs to the flavans, a subclass of flavonoids within the organic compounds. It is classified under the superclass of phenylpropanoids and polyketides. Biologically, it functions as a flavonoid (PMC11832627) and an antioxidant (PMC11755558, PMC13312991). The compound is found in or released from 48 recorded sources across multiple sectors. These include food, food processing and cookware—specifically food preservation, food packaging, molasses and treatment of molasses, the preparation of malt, and fermentation processes for beer—as well as household cleaning and consumer products such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non-electric simulated smoking devices, and other smoking requisites. Other sources include electrical and electronic equipment (batteries, capacitors, cell phones, printed circuit boards, and wires and cables), building and construction materials (ceilings, floors, and tents or canopies), textiles, leather and furnishings (carpets, rugs, and synthetic textiles), and medical devices within the healthcare, pharmaceuticals and veterinary products sector. Recorded exposure routes include oral, inhalation, and touch. Catechin acts as an inhibitor for eight recorded protein targets, including carbonic anhydrase 2 (CA2), carbonic anhydrase 6 (CA6), carbonic anhydrase 9 (CA9), and carbonic anhydrase 12 (CA12). Regarding health effects, it is used as a treatment for atherosclerosis (PMC8230257) and has a therapeutic effect on liver disease (PMC7536552). Additionally, it is associated with cough (PMC2744584).
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
Synonyms
ValueSource
(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-olChEBI
(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-olChEBI
(+)-CatecholChEBI
(+)-Cyanidan-3-olChEBI
(2R,3S)-(+)-CatechinChEBI
(2R,3S)-CatechinChEBI
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolChEBI
Catechuic acidChEBI
CianidanolChEBI
CyanidanolChEBI
D-CatechinChEBI
CatechuateGenerator
(+)-CatechinHMDB, MeSH
(+)-Catechin hydrateHMDB
(+)-CyanidanolHMDB, MeSH
(+/-)-catechinHMDB
(+/-)-catechin hydrateHMDB
3,3',4',5,7-FlavanpentolHMDB, MeSH
BiocatechinHMDB
CatechinateHMDB
Catechinic acidHMDB, MeSH
CatergenHMDB, MeSH
CianidanolumHMDB
CianidolHMDB
D-(+)-CatechinHMDB
trans3,3,4,5,7 PentahydroxyflavaneHMDB
YK-85 light yellow powder 85HMDB
Acid, catechinicMeSH, HMDB
KB-53MeSH, HMDB
ZymaMeSH, HMDB
Cyanidanol 3MeSH, HMDB
Cyanidanol-3MeSH, HMDB
KB 53MeSH, HMDB
Acid, catechuicMeSH, HMDB
(+)-Cyanidanol-3MeSH, HMDB
EpicatechinMeSH, HMDB
CatechinMeSH
(-)-EpicatechinMeSH, HMDB
(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-olPhytoBank
(+)-(2R:3S)-5,7,3’,4’-Tetrahydroxyflavan-3-olPhytoBank
(+)-3’,4’,5,7-Tetrahydroxy-2,3-trans-flavan-3-olPhytoBank
(+)-CianidanolPhytoBank
3-Cyanidanol, (+)-PhytoBank
CyanidolPhytoBank
DexcyanidanolPhytoBank
trans-(+)-3,3',4',5,7-FlavanpentolPhytoBank
trans-(+)-3,3’,4’,5,7-FlavanpentolPhytoBank
Chemical FormulaC15H14O6
Average Molecular Mass290.268 g/mol
Monoisotopic Mass290.079 g/mol
CAS Registry Number154-23-4
IUPAC Name(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Traditional Name(+)-catechol
SMILESO[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1
InChI IdentifierInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChI KeyPFTAWBLQPZVEMU-DZGCQCFKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechins
Alternative Parents
Substituents
  • Catechin
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Ether
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.64 g/LALOGPS
logP1.02ALOGPS
logP1.8ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74 m³·mol⁻¹ChemAxon
Polarizability27.89 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 Spectrumsplash10-014i-0749000000-e5b0b7512526810c1758Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-0749000000-e5b0b7512526810c1758Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-0749000000-e5b0b7512526810c1758Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-0749000000-e5b0b7512526810c1758Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-0940000000-3790a10ce8b93dcb9236Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000i-3130069000-ca0968505fc89dd82640Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-0b55363090666c3a1f0fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-0900000000-5dfb75ce17e0aea0642bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-003r-9000000000-ae956114187e6320ae3aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-dd93ef481c2fea84d4a2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0980000000-97f9a54412368150d277Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090010000-6ebf1de8cc1ea492a630Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052k-0960000000-77945100b7a1f6311aeaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052k-0960000000-77945100b7a1f6311aeaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0920000000-e829a07f24435afac743Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090010000-6ebf1de8cc1ea492a630Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052k-0960000000-77945100b7a1f6311aeaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-25414078e505f0193624Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0920000000-e829a07f24435afac743Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0910000000-a98df14e459446ae6ae2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-142161e341ec3ee68a3aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fga-0980000000-3406dfb006e610eb6fceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-466d29d8274d012f2ea3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pds-0970000000-2631ce85b21e59412694Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-1900000000-3424d3d2af180d7eabd3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-2900000000-cdc087827d67b78d4ac2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0980000000-97f9a54412368150d277Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0190000000-1dbda61edd66117390d0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0190000000-5e90ea17b7f97a7984cdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0076-0950000000-f57ee00fad87339acfd6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-37f1c08aaabb0a3657a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-53e2826e052ad8d7e162Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-3900000000-c715b3c6b38903a4dcd3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-dd93ef481c2fea84d4a2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-d8852ad78a6399d2efc7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-62f0bbeff415fc473d29Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0090000000-effae99d4c3994471ae7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-2311e3cc58e319675163Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0910000000-3c7e19287b0a40083e3dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0910000011-dc7900f6d72f6b3cc454Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-d3dfcb22397df46f6995Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ri-0900000000-9644f62040946d1efc30Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-d2d9d70f496f105ff086Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pi0-0940000000-beb9282a876a46dcc87fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0190000000-6eac8a33da7db2beaca1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0690000000-e7fca1c6070c616dd545Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002u-3900000000-4ec7cba1a2f6eea18315Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01q9-2900000000-82d95b46dd19217e29d8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-3900000000-9a025a9b6ed611dbaf22Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0920000000-796151e32f08e365cde9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052r-0930000000-a05777255be250c5e613Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0690000000-fcabde0ad089b388dea9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-1900000000-f33069c85e349f9566b1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-2900000000-39ebba12cdb971be11bfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-c9ad1093ffb8a0190d46Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01w4-1900000000-cda040d7bb12a8375a85Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052k-0960000000-77945100b7a1f6311aeaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-f458940f9d353dc0cc5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-9b51989f9f137d1d2e0bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2900000000-f0f0b3ec54aa50779e4aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-4900000000-00e026dc641ef0bb9371Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0490000000-81925f1ee72ceb299276Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00y3-0920000000-0ce8ca673fcc3d22bcdaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0190000000-e02ce4605a057501952dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-d9f34c0766f7a7f45f87Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9110000000-9817ecaae38abda6ab85Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pds-0970000000-04cc62001295e302db4eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kr-0790000000-ca35cfc7d0ab684aee93Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-1900000000-bbcd6f66c796d66d447eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-0490000000-fec2013feeeb4c4e3f91Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0076-0950000000-925025526773100db4d0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00r6-7950000000-58682b170999ad80c117Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-cb2af2ba7de0d7c51dddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-23fd3dea7d59dc15fe56Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2900000000-d1842c6b2a67bfd67987Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1920000000-31c485f30e512b5ed1beNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-8b471228347f0a27ababNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-0190000000-f394f951ba4450bdf5bbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-2900000000-3bf83404631a51907e7aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-bbf9fd3de01b5a45b3b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-7910000000-43c4b466c3e7d358282dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pds-0970000000-2631ce85b21e59412694Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-1900000000-0cd5a710574dc2b61083Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0090000000-776834cf359e45b129cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-3900000000-86fd06b2e7b62dc8fd8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0910000000-67baf7ebc98fd317daf5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0900000000-962039838063cb944b74Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-e3d8e872a87b64e6cba4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0290000000-600e0bfec556f1816f1dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0920000000-4b99da285b342d2b045dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-e38a5ed5eed6ba1986eaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pki-1940000000-319ba79fab9409c7783aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-017ce6ec5337b30a5429Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0pki-1940000000-e09db89a9a9587bb2c6fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0076-0950000000-88249b165470c528cad3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-8d264ce926cf3107855bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-4900000000-863ae36c0c95a7b44649Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-2900000000-ff900d15f15b815b9560Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0910000000-c79d6d39e3489cfb825fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-63f2d87bd5f6df9dc8f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0590000000-aff1c3cc94786f87cacfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0920000000-5e84c0d9207a0a018ab4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-4900000000-3e525d17e0b05647387aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0290000000-52e8123f5ed55bc47962Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0940000000-cfcd9b4e416f64a26916Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-2910000000-be77474275eeee51824bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0090000000-05771cafe4153d8fdf6cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000l-0910000000-edbc7c7bf6b1d6b9c87dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dv-3920000000-e1c44ee51b82e0366284Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0090000000-f6afeb92914fea4cf8deNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0079-0690000000-76f0c4a6b193c78824c1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-1940000000-cc596c4cbd5f45583cb1Not AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, Methanol, experimental)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2255.0Log mg/kg[1300:4000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
coughassociated_withNot AvailablePMC2744584
atherosclerosisis_treatment_forNot AvailablePMC8230257
liver diseasehas_therapeutic_effect_onNot AvailablePMC7536552
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
10InsecticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
233BrushesPersonal care & cosmeticsNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
495CeilingsBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
526LoudspeakersElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
546Molasses And Treatment Of MolassesFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
573Key RingsHousehold itemsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
596AcaricidesAgriculture & land managementNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
645Inorganic FibresTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
651Purses Money Bags WalletsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)0.155698
Beta-secretase 1 structureClick to view 3D structureBeta-secretase 1P56817HumansPredicted (SEA)0.389246
DNA repair protein RAD52 homolog structureClick to view 3D structureDNA repair protein RAD52 homologP43351HumansPredicted (SEA)0.155698
Pyruvate kinase PKM structureClick to view 3D structurePyruvate kinase PKMP14618HumansPredicted (SEA)0.155698
Click to view 3D structureArginaseO96394Leishmania amazonensisPredicted (SEA)0.155698
Click to view 3D structureEnoyl-acyl-carrier protein reductaseQ965D5Plasmodium falciparumPredicted (SEA)0.544945
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)5.2159
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)1.94623
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)3.03612
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)4.28171
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)0.856341
Click to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)1.08989
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)3.26967
Click to view 3D structureGlucose-6-phosphate 1-dehydrogenaseP11412Saccharomyces cerevisiae S288cPredicted (SEA)0.311397
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)26.7023
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansPredicted (SEA)8.09632
Click to view 3D structureFatty acid synthaseQ965D7Plasmodium falciparumPredicted (SEA)0.856341
Click to view 3D structure3-oxoacyl-acyl-carrier protein reductaseQ965D6Plasmodium falciparumPredicted (SEA)0.934191
Click to view 3D structureAlpha-(1,3)-fucosyltransferase 4P22083HumansPredicted (SEA)0.467095
Click to view 3D structure3-oxoacyl-(Acyl-carrier protein) reductaseQ8I2S7Plasmodium falciparum (isolate 3D7)Predicted (SEA)0.467095
Latent membrane protein 1 structureClick to view 3D structureLatent membrane protein 1P03230HHV-4Predicted (SEA)0.467095
6-phosphogluconate dehydrogenase, decarboxylating structureClick to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP52209HumansPredicted (SEA)0.467095
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)156.166
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)260.795
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)54.8837
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0002780
FooDB IDFDB002571
Phenol Explorer ID124
KNApSAcK IDC00000947
BiGG IDNot Available
BioCyc IDCPD-1961
METLIN ID3419
PDB IDNot Available
Wikipedia LinkCatechin
Chemspider ID8711
ChEBI ID15600
PubChem Compound ID9064
Kegg Compound IDC06562
YMDB IDYMDB01653
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10617953
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11196148
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=1502708
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=8224433
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=9438556
6. Yang CS, Lee MJ, Chen L: Human salivary tea catechin levels and catechin esterase activities: implication in human cancer prevention studies. Cancer Epidemiol Biomarkers Prev. 1999 Jan;8(1):83-9.
7. Roura E, Andres-Lacueva C, Estruch R, Lamuela-Raventos RM: Total polyphenol intake estimated by a modified Folin-Ciocalteu assay of urine. Clin Chem. 2006 Apr;52(4):749-52. Epub 2006 Feb 9.
8. Murphy KJ, Chronopoulos AK, Singh I, Francis MA, Moriarty H, Pike MJ, Turner AH, Mann NJ, Sinclair AJ: Dietary flavanols and procyanidin oligomers from cocoa (Theobroma cacao) inhibit platelet function. Am J Clin Nutr. 2003 Jun;77(6):1466-73.
9. Li C, Lee MJ, Sheng S, Meng X, Prabhu S, Winnik B, Huang B, Chung JY, Yan S, Ho CT, Yang CS: Structural identification of two metabolites of catechins and their kinetics in human urine and blood after tea ingestion. Chem Res Toxicol. 2000 Mar;13(3):177-84.
10. Pignatelli P, Di Santo S, Buchetti B, Sanguigni V, Brunelli A, Violi F: Polyphenols enhance platelet nitric oxide by inhibiting protein kinase C-dependent NADPH oxidase activation: effect on platelet recruitment. FASEB J. 2006 Jun;20(8):1082-9.
11. Sano A, Yamakoshi J, Tokutake S, Tobe K, Kubota Y, Kikuchi M: Procyanidin B1 is detected in human serum after intake of proanthocyanidin-rich grape seed extract. Biosci Biotechnol Biochem. 2003 May;67(5):1140-3.
12. Tsuchiya H, Sato M, Kato H, Okubo T, Juneja LR, Kim M: Simultaneous determination of catechins in human saliva by high-performance liquid chromatography. J Chromatogr B Biomed Sci Appl. 1997 Dec 5;703(1-2):253-8.
13. Lotito SB, Fraga CG: Ascorbate protects (+)-catechin from oxidation both in a pure chemical system and human plasma. Biol Res. 2000;33(2):151-7.
14. Filipe P, Silva JN, Haigle J, Freitas JP, Fernandes A, Santus R, Morliere P: Contrasting action of flavonoids on phototoxic effects induced in human skin fibroblasts by UVA alone or UVA plus cyamemazine, a phototoxic neuroleptic. Photochem Photobiol Sci. 2005 May;4(5):420-8. Epub 2005 Apr 5.
15. Lotito SB, Fraga CG: (+)-Catechin as antioxidant: mechanisms preventing human plasma oxidation and activity in red wines. Biofactors. 1999;10(2-3):125-30.
16. DuPont MS, Bennett RN, Mellon FA, Williamson G: Polyphenols from alcoholic apple cider are absorbed, metabolized and excreted by humans. J Nutr. 2002 Feb;132(2):172-5.
17. Ito H, Gonthier MP, Manach C, Morand C, Mennen L, Remesy C, Scalbert A: Polyphenol levels in human urine after intake of six different polyphenol-rich beverages. Br J Nutr. 2005 Oct;94(4):500-9.
18. Lhoste EF, Ouriet V, Bruel S, Flinois JP, Brezillon C, Magdalou J, Cheze C, Nugon-Baudon L: The human colonic microflora influences the alterations of xenobiotic-metabolizing enzymes by catechins in male F344 rats. Food Chem Toxicol. 2003 May;41(5):695-702.
19. Farivar-Mohseni H, Kandzari SJ, Zaslau S, Riggs DR, Jackson BJ, McFadden DW: Synergistic effects of Cox-1 and -2 inhibition on bladder and prostate cancer in vitro. Am J Surg. 2004 Nov;188(5):505-10.
20. Keen CL: Chocolate: food as medicine/medicine as food. J Am Coll Nutr. 2001 Oct;20(5 Suppl):436S-439S; discussion 440S-442S.