25-hydroxycholesterol

Ligand Id: 2885
Ligand name 25-hydroxycholesterol

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 8.55
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)-6-hydroxy-6-methylheptan-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
25-OHC
Database Links
BindingDB Ligand 20182
CAS Registry No. 2140-46-7
ChEBI CHEBI:42977
ChEMBL Ligand CHEMBL169046
PubChem CID 65094
RCSB PDB Ligand HC3&sid=3L0L
Search Google for chemical match using the InChIKey INBGSXNNRGWLJU-ZHHJOTBYSA-N
Search Google for chemicals with the same backbone INBGSXNNRGWLJU