HMO

4'-HYDROXY-7-METHOXYISOFLAVONE

Created: 2000-10-10
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count18
2D diagram of HMO
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Chemical Component Summary

Name4'-HYDROXY-7-METHOXYISOFLAVONE
SynonymsISOFORMONONETIN
Systematic Name (OpenEye OEToolkits)3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
FormulaC16 H12 O4
Molecular Weight268.264
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3
SMILESCACTVS3.341COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
SMILESOpenEye OEToolkits1.5.0COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O
Canonical SMILESCACTVS3.341 COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
Canonical SMILESOpenEye OEToolkits1.5.0 COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O
InChIInChI1.03 InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
InChIKeyInChI1.03 LNIQZRIHAMVRJA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04202 
NameIsoformononetin
Groups experimental
SynonymsIsoformononetin
Categories
  • Benzopyrans
  • Chromones
  • Flavonoids
  • Heterocyclic Compounds, Fused-Ring
  • Pyrans

Drug Targets

NameTarget SequencePharmacological ActionActions
Aldehyde dehydrogenase, mitochondrialMLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVS...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
PubChem 3764
ChEMBL CHEMBL453280
ChEBI CHEBI:29608
CCDC/CSD HAYBUF