Molecule ID: 14486926

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

Description: The molecule is an eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene carrying an additional 3alpha-hydroxy substituent. It has a role as a plant metabolite. It derives from a (+)-5-epi-aristolochene.

SMILES: C=C(C)[C@@H]1CC=C2CC[C@@H](O)[C@@H](C)[C@@]2(C)C1

SELFIES: [C][=C][Branch1][C][C][C@@H1][C][C][=C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N]

InChI: InChI=1S/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.9