EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190102 - 7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside

ChEBI IDCHEBI:190102
ChEBI Name7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O11
Net Charge0
Average Mass476.434
Monoisotopic Mass476.13186
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)ccc3c2=O)c(O)c1OC
InChIInChI=1S/C23H24O11/c1-30-14-6-5-11(18(26)22(14)31-2)13-9-32-15-7-10(3-4-12(15)17(13)25)33-23-21(29)20(28)19(27)16(8-24)34-23/h3-7,9,16,19-21,23-24,26-29H,8H2,1-2H3/t16?,19-,20+,21?,23-/m1/s1
InChIKeyLQEMSOXERJRDFG-RUFAMXIPSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
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)
7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside (CHEBI:190102) is a acrovestone (CHEBI:2440)
7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside (CHEBI:190102) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(2-hydroxy-3,4-dimethoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24842714ChemSpider
LMPK12050066LIPID MAPS