KMP

3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE

Created: 2002-07-19
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count33
Aromatic Bond Count18
2D diagram of KMP
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Chemical Component Summary

Name3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE
SynonymsKAEMPHEROL
Systematic Name (OpenEye OEToolkits)3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
FormulaC15 H10 O6
Molecular Weight286.236
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O
SMILESCACTVS3.341Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
Canonical SMILESCACTVS3.341 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
InChIInChI1.03 InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChIKeyInChI1.03 IYRMWMYZSQPJKC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01852 
NameKaempherol
Groups experimental
SynonymsKaempherol
CAS number520-18-3

Drug Targets

NameTarget SequencePharmacological ActionActions
UDP-glucuronosyltransferase 3A1MVGQRVLLLVAFLLSGVLLSEAAKILTISTLGGSHYLLLDRVSQILQEHG...unknown
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 CHEMBL150
PubChem 5280863
ChEMBL CHEMBL150
ChEBI CHEBI:28499
CCDC/CSD EJEPOA, NIKYAK, UBOSEM, OKEZAI, NAGTAU, OSAZOA, ANAYOG, OSAZUG