Drug Information

Drug General Information
Drug ID
D08SKU
Former ID
DNC009177
Drug Name
3-(1,3 dodecadiynyl)-6-oxiranebutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551349]
Structure
Download
2D MOL

3D MOL
Formula
C18H26O3
Canonical SMILES
CCCCCCCCC#CC#CC1C(O1)CCCC(=O)O
InChI
1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h16-17H,2-8,12,14-15H2,1H3,(H,19,20)
InChIKey
XLDNBXDVNANPCY-UHFFFAOYSA-N
PubChem Compound ID
14309407
Target and Pathway
Target(s) 3-hydroxy-3-methylglutaryl-coenzyme A reductase Target Info Inhibitor [551349]
BioCyc Pathway Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Mevalonate pathway
KEGG Pathway Terpenoid backbone biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
AMPK signaling pathway
Bile secretion
NetPath Pathway IL5 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
TSH Signaling Pathway
PANTHER Pathway Cholesterol biosynthesis
PathWhiz Pathway Steroid Biosynthesis
WikiPathways Statin Pathway
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Activation of Gene Expression by SREBP (SREBF)
SREBF and miR33 in cholesterol and lipid homeostasis
Integrated Breast Cancer Pathway
SREBP signalling
Cholesterol Biosynthesis
References
Ref 551349Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase J. Nat. Prod. 52(1):153-161 (1989).
Ref 551349Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase J. Nat. Prod. 52(1):153-161 (1989).

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