Ligand Id: 4353
Ligand name 7α,27-dihydroxycholesterol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 60.69
Molecular weight 418.34
XLogP 6.72
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms
7α, 27-OHC
cholest-5-ene-3,7,26-triol, (3β,7α,25R)- (9CI)
Database Links
CAS Registry No. 144300-24-3
Human Metabolome Database HMDB06281
Search on ChemSpider RXMHNAKZMGJANZ-DTTSCKGMSA-N
ZINC ZINC04097087, ZINC04097088

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org