13-cis-retinol

Ligand id: 6672

Name: 13-cis-retinol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 20.23
Molecular weight 286.23
XLogP 6.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol
Synonyms
13-cis-retinol
neovitamin A
Database Links
CAS Registry No. 2052-63-3 (source: Scifinder)
ChEBI CHEBI:45479
ChEMBL Ligand CHEMBL1454290
Human Metabolome Database HMDB06221
PubChem CID 9904001
Search Google for chemical match using the InChIKey FPIPGXGPPPQFEQ-HWCYFHEPSA-N
Search Google for chemicals with the same backbone FPIPGXGPPPQFEQ