Molecule ID: 13730286

IUPAC Name: (2E,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trien-1-ol

Description: The molecule is a retinoid obtained by formal hydrogenation across the 7,8-double bond of all-trans-retinol It has a role as a marine xenobiotic metabolite. It is a retinoid and a primary alcohol.

SMILES: CC1=C(CC/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1

SELFIES: [C][C][=C][Branch1][P][C][C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,13,21H,7,10-12,14-15H2,1-5H3/b9-6+,16-8+,17-13+

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.7