Hyperin (CED0003876)

Record Information

Version

1.0

Creation Date

2016-05-25 21:55:39 UTC

Update Date

2026-04-05 17:34:24 UTC

SynCED ID

CED0003876

Secondary Accession Numbers

CHEM024791

Identification

Common Name

Hyperin

Class

Small Molecule

Description

Hyperin belongs to the flavonoid glycosides, a subclass of flavonoids within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides. This compound has the chemical formula C21H20O12 and an average molecular weight of 464.38 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	ChEBI
Hyperin	ChEBI
Hyperoside	ChEBI
Quercetin 3-O-galactoside	ChEBI
2-(3,4-Dihydroxyphenyl)-3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
Quercetin galactoside	MeSH
Quercetin-3-O-galactoside	MeSH
3-O-b-D-Galactopyranosyloxy-3',4',5,7-tetrahydroxyflavone	HMDB
Hyperozide	HMDB
Jyperin	HMDB
Quercetin 3-beta-D-galactopyranoside	HMDB
Quercetin 3-D-galactoside	HMDB
Quercetin 3-O-beta-D-galactopyranoside	HMDB
Quercetin 3-O-beta-D-galactoside	HMDB
Quercetin 3-galactoside	ChEBI
Quercetin 3-O-b-D-galactopyranoside	Generator
Quercetin 3-O-β-D-galactopyranoside	Generator
3,3',4',5,7-Pentahydroxyflavone 3-O-beta-D-galactopyranoside	PhytoBank
3,3',4',5,7-Pentahydroxyflavone 3-O-β-D-galactopyranoside	PhytoBank
3,3’,4’,5,7-Pentahydroxyflavone 3-O-β-D-galactopyranoside	PhytoBank
3-D-Galactosylquercetin	PhytoBank
3-O-beta-D-Galactopyranosyl quercetin	PhytoBank
3-O-β-D-Galactopyranosyl quercetin	PhytoBank
3-O-beta-D-Galactopyranosylquercetin	PhytoBank
3-O-β-D-Galactopyranosylquercetin	PhytoBank
Hyperosid	PhytoBank
Quercetin 3-O-galactopyranoside	PhytoBank
Quercetin 3-O-β-D-galactoside	PhytoBank
Quercetin 3-O-beta-galactopyranoside	PhytoBank
Quercetin 3-O-β-galactopyranoside	PhytoBank
Quercetin 3-O-beta-galactoside	PhytoBank
Quercetin 3-O-β-galactoside	PhytoBank
Quercetin 3-beta-D-galactoside	PhytoBank
Quercetin 3-β-D-galactoside	PhytoBank
Quercetin 3-beta-galactoside	PhytoBank
Quercetin 3-β-galactoside	PhytoBank

Chemical Formula

C₂₁H₂₀O₁₂

Average Molecular Mass

464.376 g/mol

Monoisotopic Mass

464.095 g/mol

CAS Registry Number

482-36-0

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

hyperoside

SMILES

OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1

InChI Key

OVSQVDMCBVZWGM-DTGCRPNFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Pyran
Monosaccharide
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:67486 )
beta-D-galactoside (CHEBI:67486 )
tetrahydroxyflavone (CHEBI:67486 )
quercetin O-glycoside (CHEBI:67486 )
flavonols (C10073 )
Flavones and Flavonols (C10073 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

antiviral drug (PMC5162082 )?
antimicrobial agent (PMC13269592 )?
antiviral agent (PMC13185070 )?
antioxidant (PMC6130539 , PMC13185070 )?
EC 3.4.21.36 (pancreatic elastase) inhibitor (PMC12633754 )?

Chemical Roles

Not Available

Organoleptic Effects

yellow colour ?

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	1.95 g/L	ALOGPS
logP	0.47	ALOGPS
logP	-0.14	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	109.28 m³·mol⁻¹	ChemAxon
Polarizability	43.37 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0uea-8903800000-499ac85a438f6221151e	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-014r-3620009000-aa92fb234d45c04fb4a1	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0119000000-7653e3fde6f08a1f608e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0000900000-d60d8b7b555f72b770e8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0001900000-f2659f2ecc8cfe825e94	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-fb8341fdb16a9e23a75e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-1a226fba24f56b619964	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-0097000000-5067646f23e49b711552	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0w29-0179700000-5040715c1b88dc41ba6a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0003900002-b3b20b949d3387148921	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0059000000-901297fb44ccb903acfa	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0000900000-84736db1d76deb6da60c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0w29-0179400000-aa2a652149ab343a1341	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0w29-0189500000-7ff049ba7cc9caedea63	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0139300000-b99c9ec27bda7ca0248a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-c1c93b32f056b141b26a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-24376004571f89c29c26	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-5cc0caf744b94b4e08cf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-d83176614063aaa00578	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-5d64182b6ec0f035e317	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-e4f36aa3a2f59746a2de	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-97a46eaa6227f7124a06	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0000900000-77fa7d8405ecc4b33722	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0000900001-1712b04809b40339d4ef	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1119000000-c83a273b4e34319dd633	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-a70452d8dc619029eced	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0119000000-695d42dbf52de6c74205	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0009500000-60fc7867a8c476331447	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-6b07982b8cf1b5c8f201	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-777d61588bcb1410d6b2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-76f7b182e3cb8e5670d5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1973000000-e31045eedc21f88bb0bc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-95c7eb9f2dbd2ccc4737	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-4914444af975c848809e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-29863ec488efcd72b828	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0fb9-0971000000-e8a08ec0c70c41aef473	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1962000000-d61df1790c8bd685e406	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-1009000000-ed3fe77a1ecb107c3b07	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-a44454f07d20f08edd29	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-bf5df0e8845bbc29327e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-3a93ca1b4672e267ea00	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-0ac33fff6c0d20867fa4	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-57d1b2e15f55ae809385	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-3272080e75aa0683366a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-6b8e2bdefa584c75e6c6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-dff25d3afe49ed2abe87	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-6c4a0f0151f89b993af7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-0096000000-2a8faa231ffe4833d3e5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-600b532802b4e6aca2ab	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-abf468a3d736431e673c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-29733c57848cecc33e70	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0001900000-a884073b5df03fc34d44	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-22eb2a139e8cc4ad5b2d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-37873ff63079d213d8e2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-f0d42fbadfb7d3bb0244	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0000900000-04fd0a90f823358ed680	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-ea1a480a4efefac50af8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0003900000-4db0525ae401808d7deb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-24376004571f89c29c26	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-c1c93b32f056b141b26a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-0097000000-5067646f23e49b711552	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-3119000000-fa54b7ed81e9bbfefd61	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-0097000000-01060babb9df59509bcc	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-c91c4c55166de049afb9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-5cc0caf744b94b4e08cf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-d83176614063aaa00578	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uk9-0194000000-552918a6ca743829d9c0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-1a226fba24f56b619964	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-ea1f5c0f750ecf27ed8c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-ed6a732652cd4467fe30	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-fb8341fdb16a9e23a75e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0019000000-6171cde9e4185c7b951a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0000900000-d60d8b7b555f72b770e8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009000000-5d64182b6ec0f035e317	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009200000-314154877d86c6bdf4cb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0009300000-57b629d6718c03d295b1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-03di-0001900000-f2659f2ecc8cfe825e94	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0uxr-0238900000-84d67141521459a118c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0269100000-855726a927e888161d78	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f79-2962000000-bc39b0d9e5586054d85f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ik9-1306900000-12c0a6f0c9db05e8c9bd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2439200000-fc56cb8d8bcb486e96a6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0zfr-6963000000-3bde95e6420d1d4a73e4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0009200000-ec9198dd1ba084d04cbe	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0vi0-0009900000-aaa76d4e3583ff79b238	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0009000000-58b2754f892c40f07699	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000900000-6f2eeefe1c293318bcf5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ik9-0005900000-bf5910d7b15c31ad49e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0019100000-bc657e885ad678c47e43	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
8646.0 Log mg/kg [4900:15000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
psoriasis	Has Therapeutic Effect On	Not Available	A disorder characterized by a quicker life span of skin cells causing cells to build up rapidly on the surface of the skin.	PMC11280913

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000518	Electrically 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 Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	PubChem
CEDs000545	Food 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 & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes 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 products	PubChem
CEDs000563	Soap 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 products	PubChem
CEDs000580	Manufacture 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 processing	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun 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 & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential 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 & cosmetics	PubChem
CEDs000615	Eye 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 & cosmetics	PubChem
CEDs000617	Lip 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 & cosmetics	PubChem
CEDs000618	Lip 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 & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns 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 & furnishings	PubChem
CEDs000678	Nitrogenous 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 management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01208	Fruit	Food, food processing & cookware	PMC6270369
CEDs01313	Juice	Food, food processing & cookware	PMC10574057
CEDs01643	Honeydew Honeys	Food, food processing & cookware	PMC11275487

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	2-5A-dependent ribonuclease	Q05823	Humans	Known	Not Available
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Known	Not Available
Click to view 3D structure	5,6-dihydroxyindole-2-carboxylic acid oxidase	P17643	Humans	Known	Not Available
Click to view 3D structure	Tyrosinase	P14679	Humans	Known	Not Available
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.745 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 84 E-value 0.233548
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.713 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 70 E-value 0.0778492
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.685 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 472 E-value 0.311397
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.685 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 242 E-value 0.233548
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.685 Applicability Domain 1.0 Statistical Significance 5.00e-05 Supporting Reference Compounds 332 E-value 0.389246
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.685 Applicability Domain 1.0 Statistical Significance 4.00e-05 Supporting Reference Compounds 407 E-value 0.311397
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.685 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 193 E-value 0.233548
Click to view 3D structure	Nonstructural protein 5	V5TFZ2	Dengue virus	Predicted (SEA)	Prediction Confidence Score 0.62 Applicability Domain 0.981 Statistical Significance 1.00e-05 Supporting Reference Compounds 14 E-value 0.0778492
Click to view 3D structure	Arginase	O96394	Leishmania amazonensis	Predicted (SEA)	Prediction Confidence Score 0.62 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 10 E-value 0.155698
Click to view 3D structure	Lysine-specific histone demethylase 1A	O60341	Humans	Predicted (SEA)	Prediction Confidence Score 0.588 Applicability Domain 1.0 Statistical Significance 6.00e-05 Supporting Reference Compounds 85 E-value 0.467095
Click to view 3D structure	NADPH oxidase 4	Q9NPH5	Humans	Predicted (SEA)	Prediction Confidence Score 0.571 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 25 E-value 0.155698
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	Prediction Confidence Score 0.557 Applicability Domain 1.0 Statistical Significance 5.00e-05 Supporting Reference Compounds 37 E-value 0.389246
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.551 Applicability Domain 1.0 Statistical Significance 0.0053 Supporting Reference Compounds 1274 E-value 41.1822
Click to view 3D structure	D-alanine--D-alanine ligase	Q1CTD3	Helicobacter pylori (strain HPAG1)	Predicted (SEA)	Prediction Confidence Score 0.526 Applicability Domain 0.526 Statistical Significance 4.00e-05 Supporting Reference Compounds 1 E-value 0.311397
Click to view 3D structure	Aldo-keto reductase family 1 member C21	Q91WR5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.526 Applicability Domain 0.526 Statistical Significance 4.00e-05 Supporting Reference Compounds 1 E-value 0.311397
Click to view 3D structure	Intestinal-type alkaline phosphatase	P09923	Humans	Predicted (SEA)	Prediction Confidence Score 0.511 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 37 E-value 0.0778492
Click to view 3D structure	Fatty acid synthase	P12276	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.981 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.754 Statistical Significance 7.90e-04 Supporting Reference Compounds 241 E-value 6.15009
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.49 Applicability Domain 0.754 Statistical Significance 0.0032 Supporting Reference Compounds 406 E-value 25.0674
Click to view 3D structure	Beta-secretase 1	P56817	Humans	Predicted (SEA)	Prediction Confidence Score 0.485 Applicability Domain 0.754 Statistical Significance 0.0016 Supporting Reference Compounds 163 E-value 12.5337
Click to view 3D structure	Pyruvate kinase PKM	P14618	Humans	Predicted (SEA)	Prediction Confidence Score 0.474 Applicability Domain 1.0 Statistical Significance 7.00e-05 Supporting Reference Compounds 29 E-value 0.544945
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.468 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 58 E-value 0.233548
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P16116	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.462 Applicability Domain 0.763 Statistical Significance 1.20e-04 Supporting Reference Compounds 21 E-value 0.934191
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.461 Applicability Domain 1.0 Statistical Significance 0.0018 Supporting Reference Compounds 386 E-value 13.8572
Click to view 3D structure	Inositol hexakisphosphate kinase 2	Q9UHH9	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.526 Statistical Significance 3.30e-04 Supporting Reference Compounds 13 E-value 2.56902