Structure

InChI Key QGNJRVVDBSJHIZ-AQDFTDIISA-N
Smile CC(=O)OC/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O2
Molecular Weight 328.5
AlogP 6.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
None Molecule (9-cis-retinol) replacement Other Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Retinitis Pigmentosa 1 D012174 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297637
DrugBank DB12112
FDA SRS 2K3YP54BYU
Human Metabolome Database HMDB0035185
PubChem 10245972
SureChEMBL SCHEMBL1173917
ZINC ZINC000014685555