24(S), 25-epoxycholesterol

Ligand id: 2751

Name: 24(S), 25-epoxycholesterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 32.76
Molecular weight 400.33
XLogP 8.33
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)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms
24,25-epoxy-cholesterol
Database Links
BindingDB Ligand 20164
CAS Registry No. 77058-74-3 (source: Scifinder)
ChEMBL Ligand CHEMBL434302
NURSA Ligand 10.1621/SXZHSB9P5Q
PubChem CID 3247059
RCSB PDB Ligand CO1
Search Google for chemical match using the InChIKey OSENKJZWYQXHBN-XVYZBDJZSA-N
Search Google for chemicals with the same backbone OSENKJZWYQXHBN