5α-pregnan-3α-ol-20-one

Ligand id: 4108

Name: 5α-pregnan-3α-ol-20-one

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 318.26
XLogP 6.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Synonyms
allopregnanolone
Database Links
CAS Registry No. 516-54-1 (source: Scifinder)
ChEBI CHEBI:50169
ChEMBL Ligand CHEMBL207538
PubChem CID 92786
Search Google for chemical match using the InChIKey AURFZBICLPNKBZ-SYBPFIFISA-N
Search Google for chemicals with the same backbone AURFZBICLPNKBZ
Search UniChem for chemical match using the InChIKey AURFZBICLPNKBZ-SYBPFIFISA-N
Search UniChem for chemicals with the same backbone AURFZBICLPNKBZ
Wikipedia Allopregnanolone