9-cis-retinal

Ligand id: 6673

Name: 9-cis-retinal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 17.07
Molecular weight 284.21
XLogP 6.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal
Synonyms
9-cis-retinal
9-cis-retinaldehyde
Database Links
CAS Registry No. 514-85-2 (source: Scifinder)
ChEMBL Ligand CHEMBL257381
Human Metabolome Database HMDB06218
PubChem CID 6436082
Search Google for chemical match using the InChIKey NCYCYZXNIZJOKI-MKOSUFFBSA-N
Search Google for chemicals with the same backbone NCYCYZXNIZJOKI