Molecule ID: 466442

IUPAC Name: 2-[(1S,2R,5R)-1,2-dimethyl-2-bicyclo[3.1.0]hexanyl]-5-methylphenol

Description: The molecule is a sesquiterpenoid that is laurinterol in which the bromo group has been replaced by a hydrogen. Isolated from Laurencia intermedia and Aplysia kurodai, it exhibits antimicrobial activity. It has a role as a metabolite, an antimicrobial agent and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is a member of phenols and a sesquiterpenoid. It derives from a laurinterol.

SMILES: Cc1ccc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)c1

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

InChI: InChI=1S/C15H20O/c1-10-4-5-12(13(16)8-10)14(2)7-6-11-9-15(11,14)3/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.6