7α-hydroxycholesterol

Ligand id: 4351

Name: 7α-hydroxycholesterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 40.46
Molecular weight 402.35
XLogP 8.7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms
7-α-OHC
Database Links
CAS Registry No. 566-26-7
ChEBI CHEBI:17500
ChEMBL Ligand CHEMBL497207
PubChem CID 107722
RCSB PDB Ligand 5JK
Search Google for chemical match using the InChIKey OYXZMSRRJOYLLO-RVOWOUOISA-N
Search Google for chemicals with the same backbone OYXZMSRRJOYLLO
Search UniChem for chemical match using the InChIKey OYXZMSRRJOYLLO-RVOWOUOISA-N
Search UniChem for chemicals with the same backbone OYXZMSRRJOYLLO
Wikipedia 7?-Hydroxycholesterol