CHEBI:75839 - quercetin 4ʼ-O-β-D-glucopyranoside

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ChEBI Name quercetin 4ʼ-O-β-D-glucopyranoside
ChEBI ID CHEBI:75839
ChEBI ASCII Name quercetin 4'-O-beta-D-glucopyranoside
Definition A quercetin O-glucoside that is quercetin with a β-D-glucosyl residue attached at position 4ʼ.
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(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey OIUBYZLTFSLSBY-HMGRVEAOSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) has functional parent β-D-glucose (CHEBI:15903)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) has role antineoplastic agent (CHEBI:35610)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) has role antioxidant (CHEBI:22586)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) has role plant metabolite (CHEBI:76924)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) is a β-D-glucoside (CHEBI:22798)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) is a flavonols (CHEBI:28802)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) is a monosaccharide derivative (CHEBI:63367)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) is a quercetin O-glucoside (CHEBI:64621)
quercetin 4ʼ-O-β-D-glucopyranoside (CHEBI:75839) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name
2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside
Synonyms Sources
Spiraein HMDB
Spiraeoside HMDB
Manual Xrefs Databases
HMDB0037932 HMDB
KR20100138395 Patent
Spiraeoside Wikipedia
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Registry Numbers Types Sources
20229-56-5 CAS Registry Number ChemIDplus
68011 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16102260 PubMed citation Europe PMC
16218662 PubMed citation Europe PMC
20378972 PubMed citation Europe PMC
7880864 PubMed citation Europe PMC
973455 PubMed citation Europe PMC
Last Modified
09 January 2014