General Information of the Compound
Compound ID
CP0034763
Compound Name
5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
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Synonyms
2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one
2-Hydroxymethyl-5-hydroxy-gamma-pyrone
4H-PYRAN-4-ONE, 5-HYDROXY-2-(HYDROXYMETHYL)-
5-Hydroxy-2-(hydroxymethyl)-4-pyrone
5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
5-Hydroxy-2-hydroxymethyl-4-pyrone
5-Hydroxy-2-hydroxymethyl-4H-4-pyranone
5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one
5-hydroxy-2-(hydroxymethyl)pyran-4-one
501-30-4
AI3-02549
BRN 0120895
CCRIS 4131
EINECS 207-922-4
KOJIC ACID
NSC 1942
Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)
UNII-6K23F1TT52
acido kojico
kojic acid
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Structure
Formula
C6H6O4
Molecular Weight
142.11
Canonical SMILES
OCc1cc(=O)c(O)co1
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InChI
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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InChIKey
BEJNERDRQOWKJM-UHFFFAOYSA-N
CAS
123712-78-7
501-30-4
Physicochemical Property
logP
-0.1623
Rotatable Bonds
1
Heavy Atom Count
10
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
10

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3840
SID: 16080921
ChEMBL ID
CHEMBL287556
DrugBank ID
DB01759
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05154, Tyrosinase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000087 B16
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 61000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( KOJIC ACID )
Drug Name KOJIC ACID
Target(s)
Tyrosinase (TYR)
 Target Info 
Inhibitor