EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199158 - 5,7,4′-trihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside

ChEBI IDCHEBI:199158
ChEBI Name5,7,4′-trihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCOC1C(CO)O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H22O10/c1-29-21-16(8-23)32-22(20(28)19(21)27)31-12-6-14(25)17-15(7-12)30-9-13(18(17)26)10-2-4-11(24)5-3-10/h2-7,9,16,19-25,27-28H,8H2,1H3/t16?,19-,20-,21?,22+/m0/s1
InChIKeyDQFZFJHZGAOITN-AWQPHPQLSA-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:
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)
5,7,4′-trihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside (CHEBI:199158) is a acrovestone (CHEBI:2440)
5,7,4′-trihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside (CHEBI:199158) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-[(2S,3S,4S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
78440770ChemSpider