Molecule ID: 70697796

IUPAC Name: (1R,3S,5R,8E,12E,14R,15R)-14-hydroxy-5,9,13-trimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one

Description: The molecule is a cembrane diterpenoid isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a gamma-lactone, a cembrane diterpenoid, an epoxide, a macrocycle and a secondary alcohol.

SMILES: C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC/C=C(\C)CC/C=C(\C)[C@H]2O

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

InChI: InChI=1S/C20H28O4/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23-18)11-16-20(4,24-16)10-6-8-12/h8-9,15-18,21H,3,5-7,10-11H2,1-2,4H3/b12-8+,13-9+/t15-,16+,17-,18-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 59.1 Ų
- LogP: 2.5