EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204732 - 7,4′-dihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside

ChEBI IDCHEBI:204732
ChEBI Name7,4′-dihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESCOC1C(CO)O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H22O9/c1-28-21-17(9-23)31-22(20(27)19(21)26)30-13-6-7-14-16(8-13)29-10-15(18(14)25)11-2-4-12(24)5-3-11/h2-8,10,17,19-24,26-27H,9H2,1H3/t17?,19-,20-,21?,22+/m0/s1
InChIKeyBVKFFAQGFXJQBI-YSZROVPYSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - DOI (10.1016/j.foodchem.2009.02.055)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
7,4′-dihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside (CHEBI:204732) is a acrovestone (CHEBI:2440)
7,4′-dihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside (CHEBI:204732) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-[(2S,3S,4S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
78441014ChemSpider