Molecule ID: 11109567

IUPAC Name: (1S,3R,4E,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol

Description: The molecule is a cembrane diterpenoid obtained from tobacco and shown to have antitumour-promoting activity. It has a role as an antineoplastic agent.

SMILES: C/C1=C\[C@H](O)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1

SELFIES: [C][/C][=C][\C@H1][Branch1][C][O][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][/C][Branch1][C][C][=C][/C][C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.0