Quercetin
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular Identity
Quercetin
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
PubChem CID: 5280343
Quercetin is a pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It has a role as a geroprotector, an antioxidant, an antibacterial agent, an antineoplastic agent, a protein kinase inhibitor, a chelator, a radical scavenger, an Aurora kinase inhibitor, a plant metabolite, a phytoestrogen and an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a quercetin-7-olate.
2D Structure
Properties
C15H10O7
Molecular Formula
302.23
Molecular Weight
g/mol
302.0427
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
7
H-Bond Acceptors
488
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OSynonyms(20)
quercetin117-39-5SophoretinMeletinXanthaurineQuercetolQuercetineQuertine2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-oneQuercitin3,3',4',5,7-PentahydroxyflavoneQuertin3,5,7,3',4'-PentahydroxyflavoneCyanidelonon 1522Flavin meletin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Quercetin
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