Drug Information

Drug General Information
Drug ID
D01GUG
Former ID
DNC008079
Drug Name
12-O-deacetyl-12-epi-19-deoxy-21-hydroxyscalarin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529138]
Structure
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2D MOL

3D MOL
Formula
C25H38O4
Canonical SMILES
CC1(CCCC2(C1CCC3(C2CC(C4(C3CC=C5C4COC5=O)C)O)C)C)CO
InChI
1S/C25H38O4/c1-22(14-26)9-5-10-23(2)17(22)8-11-24(3)18-7-6-15-16(13-29-21(15)28)25(18,4)20(27)12-19(23)24/h6,16-20,26-27H,5,7-14H2,1-4H3/t16-,17-,18-,19+,20+,22-,23-,24-,25+/m0/s1
InChIKey
LXWMXTKOJPFGPW-NFXGRNOLSA-N
PubChem Compound ID
24178658
Target and Pathway
Target(s) Bile acid receptor Target Info Inhibitor [529138]
KEGG Pathway Bile secretion
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptor
Reactome Recycling of bile acids and salts
PPARA activates gene expression
Endogenous sterols
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Drug Induction of Bile Acid Pathway
References
Ref 529138J Nat Prod. 2007 Nov;70(11):1691-5. Epub 2007 Nov 8.Scalarane sesterterpenes from a marine sponge of the genus Spongia and their FXR antagonistic activity.
Ref 529138J Nat Prod. 2007 Nov;70(11):1691-5. Epub 2007 Nov 8.Scalarane sesterterpenes from a marine sponge of the genus Spongia and their FXR antagonistic activity.

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