guggulsterone

Ligand Id: 2745
Ligand name guggulsterone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 34.14
Molecular weight 312.21
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Synonyms
E-guggulsterone
guggulsterones E
pregna-4,17-diene-3,16-dione
Database Links
BindingDB Ligand 50226465
CAS Registry No. 95975-55-6 (source: Scifinder)
ChEMBL Ligand CHEMBL402063
NURSA Ligand 997
PubChem CID 6439929
Search Google for chemical match using the InChIKey WDXRGPWQVHZTQJ-AUKWTSKRSA-N
Search Google for chemicals with the same backbone WDXRGPWQVHZTQJ
Wikipedia Guggulsterone
ZINC ZINC19132424