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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL287556
CHEMBL287556
Compound Name KOJIC ACID
ChEMBL Synonyms Kojic acid | 5-Hydroxy-2-(hydroxymethyl)-4-pyrone
Max Phase 0
Trade Names
Molecular Formula C6H6O4

Additional synonyms for CHEMBL287556 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCC1=CC(=O)C(=CO1)O
Standard InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
Standard InChI Key BEJNERDRQOWKJM-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL287556. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL287556

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
142.1 142.0266 -1.11 1 66.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.05 - -.66 -.73 0 10 0.49

Compound Cross References

ChemSpider ChemSpider:BEJNERDRQOWKJM-UHFFFAOYSA-N
PubChem SID: 104171348 SID: 144204365 SID: 144206999 SID: 26754136
Wikipedia Kojic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL287556



ACToR 501-30-4 123712-78-7
BindingDB 50031467
ChEBI 43572
DrugBank DB01759
eMolecules 524639
FDA SRS 6K23F1TT52
Human Metabolome Database HMDB32923
IBM Patent System DCE70F4AAC7E92ABB6E18A80C2F87772
KEGG Ligand C14516
Mcule MCULE-1079267668
MolPort MolPort-000-716-732
Nikkaji J1.564D
NMRShiftDB 20182546
PDBe KOJ
PubChem 3840
PubChem: Thomson Pharma 16080921
SureChEMBL SCHEMBL36895
ZINC ZINC13831818

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BEJNERDRQOWKJM-UHFFFAOYSA-N spacer
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