Drug Information

Drug General Information
Drug ID
D01VEP
Former ID
DNC013639
Drug Name
N-cetylgallate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526128]
Structure
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2D MOL

3D MOL
Formula
C23H38O5
Canonical SMILES
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
1S/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-23(27)19-17-20(24)22(26)21(25)18-19/h17-18,24-26H,2-16H2,1H3
InChIKey
TYCUSKFOGZNIBO-UHFFFAOYSA-N
PubChem Compound ID
78729
Target and Pathway
Target(s) Squalene monooxygenase Target Info Inhibitor [526128]
KEGG Pathway Steroid biosynthesis
Sesquiterpenoid and triterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of antibiotics
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
Activation of gene expression by SREBF (SREBP)
References
Ref 526128J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
Ref 526128J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.

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