Molecule ID: 132282047

IUPAC Name: (1R,3R,4R,6R,7S,8S,10Z,12R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol

Description: The molecule is a diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, two hydroxy, one hydroxymethyl and two methyl substituents. It has a role as an EC 3.1.1.5 (lysophospholipase) inhibitor and a bacterial metabolite. It is a diterpenoid, a carbotricyclic compound, a tertiary alcohol, a secondary alcohol and a primary alcohol.

SMILES: CC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](CO)C[C@@H](O)[C@H]3[C@@](C)(O)C/C=C/12

SELFIES: [C][C][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C][C@@H1][C@H1][Branch1][Ring1][C][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][C@@][Branch1][C][C][Branch1][C][O][C][/C][=C][-/Ring2][Ring1][Ring2][Ring1][P]

InChI: InChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 3.2