desmosterol

Ligand id: 2748

Name: desmosterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 20.23
Molecular weight 384.34
XLogP 9.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Database Links
CAS Registry No. 313-04-2 (source: Scifinder)
ChEBI CHEBI:17737
ChEMBL Ligand CHEMBL455876
GtoPdb PubChem SID 135651470
PubChem CID 439577
Search Google for chemical match using the InChIKey AVSXSVCZWQODGV-DPAQBDIFSA-N
Search Google for chemicals with the same backbone AVSXSVCZWQODGV
Search UniChem for chemical match using the InChIKey AVSXSVCZWQODGV-DPAQBDIFSA-N
Search UniChem for chemicals with the same backbone AVSXSVCZWQODGV
Wikipedia Desmosterol