Molecule ID: 25137938

IUPAC Name: (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one

Description: The molecule is a carbotricyclic compound that is (+)-epi-isozizaene in which the hydrogens at position 5 have been replaced by an oxo group. It has a role as a bacterial metabolite. It is a sesquiterpenoid, a carbocyclic antibiotic, a carbotricyclic compound, an enone and a cyclic terpene ketone. It derives from a hydride of a (+)-epi-isozizaene.

SMILES: CC1=C2C(=O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C

SELFIES: [C][C][=C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C@][Ring1][#Branch1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][=N][Branch1][C][C][C]

InChI: InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 3.6