Drug Information

Drug General Information
Drug ID
D03RKP
Former ID
DNC013650
Drug Name
Trisnorsqualene difluoromethylidene
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526128]
Structure
Download
2D MOL

3D MOL
Formula
C28H44F2
Canonical SMILES
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(F)F)C)C)C
InChI
1S/C28H44F2/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28(29)30/h13-15,19-20,22H,7-12,16-18,21H2,1-6H3/b24-14+,25-15+,26-19+,27-20+
InChIKey
VSXSIZULFIRURF-OGDZRKEVSA-N
PubChem Compound ID
15119643
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.