EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75790 - kaempferol 7-O-β-D-glucopyranoside

ChEBI IDCHEBI:75790
ChEBI Namekaempferol 7-O-β-D-glucopyranoside
Stars
ASCII Namekaempferol 7-O-beta-D-glucopyranoside
DefinitionA kaempferol O-glucoside that is kaempferol attached to a β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Last Modified20 August 2024
Submittermwilliams
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIInChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1
InChIKeyYPWHZCPMOQGCDQ-HMGRVEAOSA-N
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) has functional parent β-D-glucose (CHEBI:15903)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) has role metabolite (CHEBI:25212)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) has role plant metabolite (CHEBI:76924)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) has role radical scavenger (CHEBI:48578)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) is a flavonols (CHEBI:28802)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) is a monosaccharide derivative (CHEBI:63367)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) is a trihydroxyflavone (CHEBI:27116)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) is a β-D-glucoside (CHEBI:22798)
kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790) is conjugate acid of kaempferol 7-O-β-D-glucoside(1−) (CHEBI:169944)
Incoming Relation(s)
kaempferol 7-O-β-D-glucoside(1−) (CHEBI:169944) is conjugate base of kaempferol 7-O-β-D-glucopyranoside (CHEBI:75790)
IUPAC Name 
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:68205Reaxys
CAS:52222-74-9ChemIDplus
Citations