Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01GUG
|
|||
| Former ID |
DNC008079
|
|||
| Drug Name |
12-O-deacetyl-12-epi-19-deoxy-21-hydroxyscalarin
|
|||
| Synonyms |
CHEMBL251695; CHEBI:68038; 12-O-deacetyl-12-epi-19-deoxy-21-hydroxyscalarin; BDBM50226460
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D 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
|
|||
| CAS Number |
CAS 957131-96-3
|
|||
| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:68038
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Farnesoid X-activated receptor (FXR) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Scalarane sesterterpenes from a marine sponge of the genus Spongia and their FXR antagonistic activity. J Nat Prod. 2007 Nov;70(11):1691-5. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.