Chemical Component Summary

Name4-HYDROXY-2H-CHROMEN-2-ONE
Synonyms4-HYDROXY-1-BENZOPYRAN-2-ONE; 4-HYDROXYCOUMARIN
Identifiers4-hydroxychromen-2-one
FormulaC9 H6 O3
Molecular Weight162.142
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)C(=CC(=O)O2)O
InChIInChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyVXIXUWQIVKSKSA-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count19
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB03410 
Name4-hydroxycoumarin
Groups experimental
Synonyms
  • 4-hydroxy-2-chromenone
  • 4-hydroxy-2H-benzo[b]pyran-2-one
  • 4-coumarinol
  • 4-hydroxycoumarin
  • 4-hydroxy-2H-1-benzopyran-2-one
Categories
  • Anticoagulants
  • Benzopyrans
  • Coumarins
  • Heterocyclic Compounds, Fused-Ring
  • Pyrans
CAS number1076-38-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Major NAD(P)H-flavin oxidoreductaseMTHPIIHDLENRYTSKKYDPSKKVSQEDLAVLLEALRLSASSINSQPWKF...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 CHEMBL301141
PubChem 54682930
ChEMBL CHEMBL301141
ChEBI CHEBI:40070
CCDC/CSD HOXCUM01, FEGPOW, HOXCUM02, HOXCUM03