CHEBI:131498 - quercetin 3,4'-di-O-β-D-glucoside

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ChEBI Name quercetin 3,4'-di-O-β-D-glucoside
ChEBI ID CHEBI:131498
ChEBI ASCII Name quercetin 3,4'-di-O-beta-D-glucoside
Definition A quercetin O-glucoside that is quercetin with two β-D-glucosyl residues attached at positions 3 and 4'.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H30O17
Net Charge 0
Average Mass 626.518
Monoisotopic Mass 626.14830
InChI InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKey RPVIQWDFJPYNJM-DEFKTLOSSA-N
SMILES C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) See: MetaboLights Study
Allium cepa (NCBI:txid4679) See: PubMed
Solanum habrochaites (NCBI:txid62890) See: MetaboLights Study
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
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): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) has role cardioprotective agent (CHEBI:77307)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) has role plant metabolite (CHEBI:76924)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) has role radical scavenger (CHEBI:48578)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a β-D-glucoside (CHEBI:22798)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a monosaccharide derivative (CHEBI:63367)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a polyphenol (CHEBI:26195)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a quercetin O-glucoside (CHEBI:64621)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
4-[3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Synonyms Sources
Quercetin 3,4'-di-O-beta-D-glucopyranoside KNApSAcK
Quercetin 3,4'-diglucoside LIPID MAPS
quercetin 3,4'-O-diglucoside ChEBI
Manual Xrefs Databases
4478806 ChemSpider
C00005436 KNApSAcK
CPD-14753 MetaCyc
HMDB0037363 HMDB
LMPK12112104 LIPID MAPS
Quercetin_3,4%27-diglucoside Wikipedia
View more database links
Registry Numbers Types Sources
29125-80-2 CAS Registry Number KNApSAcK
4345290 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23656415 PubMed citation Europe PMC
25038704 PubMed citation Europe PMC
25212303 PubMed citation Europe PMC
IND43965226 Agricola citation Europe PMC
IND44428178 Agricola citation Europe PMC
Last Modified
14 November 2016