Molecule ID: 129320473

IUPAC Name: (1R,4R,5S,8R,9R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.04,9]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, an organic heterotricyclic compound and a cyclic ether.

SMILES: CC(C)[C@]12CC[C@H](C)[C@H]3CC[C@](C)(C[C@H]31)O2

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

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

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 4.0