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

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ChEBI Name quercetin 3-O-β-D-glucopyranoside
ChEBI ID CHEBI:68352
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
InChIKey OVSQVDMCBVZWGM-QSOFNFLRSA-N
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)
IUPAC Name
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
C05623 KEGG COMPOUND
HMDB0037362 HMDB
Isoquercetin Wikipedia
LSM-5818 LINCS
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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