EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42202 - daidzein 7-O-β-D-glucoside

ChEBI IDCHEBI:42202
ChEBI Namedaidzein 7-O-β-D-glucoside
Stars
ASCII Namedaidzein 7-O-beta-D-glucoside
DefinitionA glycosyloxyisoflavone that is daidzein attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).
Secondary ChEBI IDsCHEBI:4307, CHEBI:42197, CHEBI:86150
Last Modified3 March 2018
Submitternamrata
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChIInChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChIKeyKYQZWONCHDNPDP-QNDFHXLGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847) - PubMed (25236207)
Roles Classification
Biological Role:
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)
daidzein 7-O-β-D-glucoside (CHEBI:42202) has functional parent daidzein (CHEBI:28197)
daidzein 7-O-β-D-glucoside (CHEBI:42202) has role plant metabolite (CHEBI:76924)
daidzein 7-O-β-D-glucoside (CHEBI:42202) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
daidzein 7-O-β-D-glucoside (CHEBI:42202) is a hydroxyisoflavone (CHEBI:38755)
daidzein 7-O-β-D-glucoside (CHEBI:42202) is a monosaccharide derivative (CHEBI:63367)
Incoming Relation(s)
malonyldaidzin (CHEBI:80371) has functional parent daidzein 7-O-β-D-glucoside (CHEBI:42202)
IUPAC Names 
3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside
7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one
Synonyms  Source
daidzein 7-O-glucosideChemIDplus
daidzein 7-glucosideChemIDplus
Daidzein 7-O-glucosideKEGG COMPOUND
DaidzinKEGG COMPOUND
DAIDZINPDBeChem
daidzosideChemIDplus
UniProt Name  Source
daidzein 7-O-β-D-glucosideUniProt
Manual XrefsDatabases
C00002518KNApSAcK
C10216KEGG COMPOUND
CPD-3424MetaCyc
DaidzinWikipedia
DB02115DrugBank
DZNPDBeChem
HMDB0033991HMDB
LMPK12050013LIPID MAPS
Registry NumbersSources
Reaxys:59741Reaxys
Beilstein:59741Beilstein
CAS:552-66-9ChemIDplus
CAS:552-66-9KEGG COMPOUND
Citations