all-trans-4-oxo-retinoic acid

Ligand id: 2741

Name: all-trans-4-oxo-retinoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 54.37
Molecular weight 314.19
XLogP 4.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
Synonyms
4-oxoretinoic acid
Ro 12-4824
Database Links
CAS Registry No. 38030-57-8
ChEMBL Ligand CHEMBL104049
NURSA Ligand 10.1621/LD2MHCR4RT
PubChem CID 6437063
Search Google for chemical match using the InChIKey GGCUJPCCTQNTJF-FRCNGJHJSA-N
Search Google for chemicals with the same backbone GGCUJPCCTQNTJF