Details of the Drug

General Information of Drug (ID: DMP84CS)

Drug Name
KOJIC ACID
Synonyms
kojic acid; 501-30-4; 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 5-Hydroxy-2-(hydroxymethyl)-4-pyrone; 5-Hydroxy-2-hydroxymethyl-4-pyrone; 4H-PYRAN-4-ONE, 5-HYDROXY-2-(HYDROXYMETHYL)-; 5-hydroxy-2-(hydroxymethyl)pyran-4-one; acido kojico; 2-Hydroxymethyl-5-hydroxy-gamma-pyrone; 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one; UNII-6K23F1TT52; CCRIS 4131; 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone; NSC 1942; EINECS 207-922-4; BRN 0120895; Pyran-4-one, 5-hydroxy-2-(hydroxymethyl); 5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one; AI3-02549
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 142.11
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H6O4
IUPAC Name
5-hydroxy-2-(hydroxymethyl)pyran-4-one
Canonical SMILES
C1=C(OC=C(C1=O)O)CO
InChI
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
InChIKey
BEJNERDRQOWKJM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3840
ChEBI ID
CHEMBL287556
CAS Number
501-30-4
UNII
6K23F1TT52
DrugBank ID
DB01759
TTD ID
D0F3CO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosinase (TYR) TTULVH8 TYRO_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (ACMSD) OTPSXPSF ACMSD_HUMAN Gene/Protein Processing [2]
26S proteasome non-ATPase regulatory subunit 3 (PSMD3) OT585WY8 PSMD3_HUMAN Gene/Protein Processing [2]
26S proteasome regulatory subunit 10B (PSMC6) OTG8997V PRS10_HUMAN Gene/Protein Processing [2]
3-hydroxyisobutyryl-CoA hydrolase, mitochondrial (HIBCH) OTU2VHWR HIBCH_HUMAN Gene/Protein Processing [2]
Acetylcholinesterase collagenic tail peptide (COLQ) OT4BHUGQ COLQ_HUMAN Gene/Protein Processing [2]
Adenosine 5'-monophosphoramidase HINT3 (HINT3) OTJGDLB6 HINT3_HUMAN Gene/Protein Processing [2]
Alkaline ceramidase 3 (ACER3) OTIVQBG5 ACER3_HUMAN Gene/Protein Processing [2]
Alpha-catulin (CTNNAL1) OTESJ6JD CTNL1_HUMAN Gene/Protein Processing [2]
Amelotin (AMTN) OTXAMT4V AMTN_HUMAN Gene/Protein Processing [2]
Amyloid-beta precursor protein (APP) OTKFD7R4 A4_HUMAN Gene/Protein Processing [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosinase (TYR) DTT TYR 6.68E-04 2.54 1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A novel ring-expanded product with enhanced tyrosinase inhibitory activity from classical Fe-catalyzed oxidation of rosmarinic acid, a potent antio... Bioorg Med Chem Lett. 2010 Dec 15;20(24):7393-6.
2 Toxicogenomics of kojic acid on gene expression profiling of a375 human malignant melanoma cells. Biol Pharm Bull. 2006 Apr;29(4):655-69.