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3,5,7,3',4'-PENTAHYDROXYFLAVONE


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Chemical Component Summary

Name3,5,7,3',4'-PENTAHYDROXYFLAVONE
SynonymsQUERCETIN
Identifiers2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
FormulaC15 H10 O7
Molecular Weight302.236
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB04216 
NameQuercetin
Groups
  • investigational
  • experimental
DescriptionQuercetin is a flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin.
Synonyms
  • 3'-HYDROXYKAEMPFEROL
  • 3,5,7,3',4'-Pentahydroxyflavone
  • poly (lactide-co-glycolide)-polyethylene glycol nanoparticles encapsulating quercetin
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • FLAVONE, 3,3',4',5,7-PENTAHYDROXY-
Categories
  • Antioxidants
  • BCRP/ABCG2 Inhibitors
  • Benzopyrans
  • Biological Factors
  • Chromones
CAS number117-39-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoformMELENYKQPVVLREDNCRRRRRMKPRSAAASLSSMELIPIEFVLPTSQRK...unknown
UDP-glucuronosyltransferase 3A1MVGQRVLLLVAFLLSGVLLSEAAKILTISTLGGSHYLLLDRVSQILQEHG...unknown
ATP synthase subunit alpha, mitochondrialMLSVRVAAAVVRALPRRAGLVSRNALGSSFIAARNFHASNTHLQKTGTAE...unknown
ATP synthase subunit beta, mitochondrialMLGFVGRVAAAPASGALRRLTPSASLPPAQLLLRAAPTAVHPVRDYAAQT...unknown
ATP synthase subunit gamma, mitochondrialMFSRAGVAGLSAWTLQPQWIQVRNMATLKDITRRLKSIKNIQKITKSMKM...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL50
PubChem 5280343
ChEMBL CHEMBL50
ChEBI CHEBI:16243
CCDC/CSD AKIJEK01, AKIJEK02, RUWHUN, AKIJEK, YUFQEX, YUFQOH, MUPPOD, NUTPEZ, YUFDUA, QOLLUA, YUFQUN, YUFGEN, YUFGIR, FEFBEX01, TOHZUO, NIXLUC01, YUFCOT, YUFFIQ, YUFPUM, YUFGUD, YUFFAI, YUFDOU, YUFFOW, YUFDIO, YUFQOH01, COLHIV, YUFCUZ, YUFPIA, NUTPID, FEFBEX02, YUFGAJ01, YUFPOG, YUFDAG, NAFYUR, NIXLUC, YUFHAK, NAFZEC, NAFZAY, YUFQAT, VIHJII, YUFQIB, EJERES, YUFHIS, YUFGAJ, YUFFEM, FEFBEX, YUFDIO01, YUFFAI01, YUFFEM01, YUFFIQ01
COD 2104904, 2104903, 4501807, 2104902, 1542788, 4502544, 1501794, 1542798, 1542791, 1542792, 1542801, 1542786, 1542799, 1542797, 1542802, 1542796, 4503284, 1542793, 1542784, 1501795, 1542785, 1542794, 1542789, 1542800