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CHEBI:166642 - Daidzein 7-O-glucuronide

ChEBI IDCHEBI:166642
ChEBI NameDaidzein 7-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O10
Net Charge0
Average Mass430.365
Monoisotopic Mass430.09000
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
InChIKeyMMIBOZXVZLENRZ-ZFORQUDYSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
ChEBI Ontology
Outgoing Relation(s)
Daidzein 7-O-glucuronide (CHEBI:166642) is a acrovestone (CHEBI:2440)
Daidzein 7-O-glucuronide (CHEBI:166642) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
9491321ChemSpider
D75PDBeChem
HMDB0041718HMDB