CHEBI:31743 - kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside
ChEBI ID CHEBI:31743
ChEBI ASCII Name kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Definition A sophoroside that is kaempferol attached to a β-D-sophorosyl residue at position 3 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB71307202, ZINC000004654810
Download Molfile XML SDF
Formula C27H30O16
Net Charge 0
Average Mass 610.51750
Monoisotopic Mass 610.15338
InChI InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKey LKZDFKLGDGSGEO-UJECXLDQSA-N
SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31743) has role plant metabolite (CHEBI:76924)
kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31743) is a sophoroside (CHEBI:145470)
kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:31743) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms Sources
3-((2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ChemIDplus
Kaempferol 3-O-beta-D-sophoroside KEGG COMPOUND
kaempferol 3-O-sophoroside ChemIDplus
Kaempferol-3-O-beta-D-sophoroside KEGG COMPOUND
Sophoraflavonoloside KEGG COMPOUND
Manual Xrefs Databases
C00005165 KNApSAcK
C12634 KEGG COMPOUND
CPD-8067 MetaCyc
View more database links
Registry Numbers Types Sources
19895-95-5 CAS Registry Number KEGG COMPOUND
19895-95-5 CAS Registry Number ChemIDplus
75115 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
22 November 2019