CHEBI:86512 - calycosin-7-O-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calycosin-7-O-β-D-glucoside
ChEBI ID CHEBI:86512
ChEBI ASCII Name calycosin-7-O-beta-D-glucoside
Definition A glycosyloxyisoflavone that is calycosin substituted by a β-D-glucopyranosyl residue at position at 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H22O10
Net Charge 0
Average Mass 446.40410
Monoisotopic Mass 446.12130
InChI InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey WACBUPFEGWUGPB-MIUGBVLSSA-N
SMILES COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
Metabolite of Species Details
Astragalus mongholicus (NCBI:txid119829) See: PubMed
ChEBI Ontology
Outgoing calycosin-7-O-β-D-glucoside (CHEBI:86512) has functional parent calycosin (CHEBI:17793)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a 4'-methoxyisoflavones (CHEBI:133959)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a hydroxyisoflavone (CHEBI:38755)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside
Citations Waiting for Citations Types Sources
18346946 PubMed citation Europe PMC
24417088 PubMed citation Europe PMC
25844502 PubMed citation Europe PMC
Last Modified
03 March 2018