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]
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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: CHEBI:43572
CAS Number: 501-30-4
DrugBank ID: DB01759
TTD ID: D0F3CO

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]

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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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.