57D

chrysin

Created: 2008-09-01
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count31
Aromatic Bond Count12
2D diagram of 57D
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Chemical Component Summary

Namechrysin
Synonyms5,7-dihydroxy-2-phenyl-4H-chromen-4-one
Systematic Name (OpenEye OEToolkits)5,7-dihydroxy-2-phenyl-chromen-4-one
FormulaC15 H10 O4
Molecular Weight254.237
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c3c(OC(=C1)c2ccccc2)cc(O)cc3O
SMILESCACTVS3.341Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
Canonical SMILESCACTVS3.341 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
InChIInChI1.03 InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyInChI1.03 RTIXKCRFFJGDFG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB15581 
NameChrysin
Groups experimental
Synonyms
  • Galangin flavanone
  • 5,7-dihydroxyflavone
  • Chrysin
Categories
  • Benzopyrans
  • Chromones
  • Heterocyclic Compounds, Fused-Ring
  • Pyrans
CAS number480-40-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Aldo-keto reductase family 1 member B1MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...unknowninhibitor
Cytochrome P450 1B1MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSA...unknowninhibitor
AromataseMVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...unknowninhibitor
Cyclin-dependent kinase 6MEKDGLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTG...unknowninhibitor
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 CHEMBL117
PubChem 5281607
ChEMBL CHEMBL117
ChEBI CHEBI:75095
CCDC/CSD EJEQOB, JICKIS, EJEQAN, GOPZET, GUKSEN, IYIWIY, IYIWEU, OQIWIX, KEQREH, KEQRAD