Molecule ID: 11471955

IUPAC Name: 4-bromo-2-[(1S,2R,5R)-1,2-dimethyl-2-bicyclo[3.1.0]hexanyl]-5-methylphenol

Description: The molecule is a sesquiterpenoid isolated from Laurencia intermedia and Aplysia kurodai and has been found to exhibit antibacterial activity, It has a role as a metabolite, an apoptosis inducer, an antibacterial agent and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is a sesquiterpenoid, a member of phenols and an organobromine compound.

SMILES: Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1Br

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

InChI: InChI=1S/C15H19BrO/c1-9-6-13(17)11(7-12(9)16)14(2)5-4-10-8-15(10,14)3/h6-7,10,17H,4-5,8H2,1-3H3/t10-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.3