KOJ

5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE

Created: 2001-11-23
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of KOJ
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Chemical Component Summary

Name5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
Systematic Name (OpenEye OEToolkits)5-hydroxy-2-(hydroxymethyl)pyran-4-one
FormulaC6 H6 O4
Molecular Weight142.109
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C=C(OC=C1O)CO
SMILESCACTVS3.341OCC1=CC(=O)C(=CO1)O
SMILESOpenEye OEToolkits1.5.0C1=C(OC=C(C1=O)O)CO
Canonical SMILESCACTVS3.341 OCC1=CC(=O)C(=CO1)O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=C(OC=C(C1=O)O)CO
InChIInChI1.03 InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
InChIKeyInChI1.03 BEJNERDRQOWKJM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01759 
NameKojic acid
Groups experimental
Synonyms
  • Kojic acid
  • ácido kójico
  • 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
  • 5-hydroxy-2-(hydroxymethyl)-4-pyrone
Brand Names
  • Eye Gel
  • Instant Face Lift
  • Dark Spot Remover
  • Cream
  • AnubisMed
Categories
  • Antioxidants
  • Biological Factors
  • Compounds used in a research, industrial, or household setting
  • Mycotoxins
  • Protective Agents
CAS number501-30-4

Drug Targets

NameTarget SequencePharmacological ActionActions
TyrosinaseMLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLS...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 3840
ChEMBL CHEMBL287556
ChEBI CHEBI:43572
CCDC/CSD ZZZFMU01, ZZZFMU02, ZZZFMU04, ZZZFMU03, ZZZFMU05