Molecule ID: 129320442

IUPAC Name: (1R,4S,5R,8R,10S)-4,8-dimethyl-10-propan-2-yl-9-oxatricyclo[6.2.1.01,5]undecane

Description: The molecule is a tricyclic sesquiterpenoid with formula C15H26O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from Kitasatospora setae. It is a sesquiterpenoid, a cyclic ether and an organic heterotricyclic compound.

SMILES: CC(C)[C@@H]1O[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]31C2

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

InChI: InChI=1S/C15H26O/c1-10(2)13-15-8-5-11(3)12(15)6-7-14(4,9-15)16-13/h10-13H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 4.2