pregnenolone sulphate

Ligand Id: 4290
Ligand name pregnenolone sulphate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.05
Molecular weight 396.2
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
IUPAC Name
[(1S,2R,5S,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid
Synonyms
pregnenolone sulfate
PREGS
Database Links
CAS Registry No. 1247-64-9 (source: Scifinder)
ChEBI CHEBI:35420
Human Metabolome Database Pregnenolone sulfate
PubChem CID 105074
Search Google for chemical match using the InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-N
Search Google for chemicals with the same backbone DIJBBUIOWGGQOP
Wikipedia Pregnenolone_sulfate
ZINC ZINC05167145