Molecule ID: 3084331

IUPAC Name: (1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

Description: The molecule is a cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4S,4aR,8aS)-configuration. It has a role as a plant metabolite, a fungicide, a volatile oil component, a marine metabolite and a bacterial metabolite. It is a cadinane sesquiterpenoid, a carbobicyclic compound, a tertiary alcohol and a member of octahydronaphthalenes. It is an enantiomer of a (+)-Tau-muurolol.

SMILES: CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1

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

InChI: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.3