Molecule ID: 11532074

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

Description: The molecule is a sesquiterpenoid that is a dimer of a cyclolaurane type sesquiterpene. Isolated from the marine red algae Laurencia nidifica and Laurencia tristicha, it exhibits antineoplastic activity. It has a role as an antineoplastic agent and an algal metabolite. It is a sesquiterpenoid, a member of biphenyls and a member of phenols.

SMILES: Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C

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][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][=C][Ring1][#C][C]

InChI: InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3/t19-,20-,27+,28+,29+,30+/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 8.9