CHEBI:68352 - quercetin 3-O-β-D-glucopyranoside

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ChEBI Name quercetin 3-O-β-D-glucopyranoside
ChEBI ASCII Name quercetin 3-O-beta-D-glucopyranoside
Definition A quercetin O-glucoside that is quercetin with a β-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H20O12
Net Charge 0
Average Mass 464.37630
Monoisotopic Mass 464.095
InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) See: MetaboLights Study
Vitis vinifera (NCBI:txid29760) See: DOI
Lepisorus contortus (NCBI:txid699669) Found in whole plant (BTO:0001461). 95% EtOH extract of air-dried, powdered whole plant See: PubMed
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) has functional parent β-D-glucose (CHEBI:15903)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) has role antineoplastic agent (CHEBI:35610)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) has role plant metabolite (CHEBI:76924)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) is a β-D-glucoside (CHEBI:22798)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) is a monosaccharide derivative (CHEBI:63367)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) is a quercetin O-glucoside (CHEBI:64621)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) is a tetrahydroxyflavone (CHEBI:38684)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranoside
Synonyms Sources
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one KEGG COMPOUND
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one ChEBI
isoquercetin ChEBI
Isoquercitrin KEGG COMPOUND
Isotrifoliin KEGG COMPOUND
Manual Xrefs Databases
C00005373 KNApSAcK
HMDB0037362 HMDB
Isoquercetin Wikipedia
View more database links
Registry Numbers Types Sources
100989 Reaxys Registry Number Reaxys
21637-25-2 CAS Registry Number KEGG COMPOUND
482-35-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21261296 PubMed citation Europe PMC
Last Modified
07 March 2016