Molecule ID: 11553430

IUPAC Name: [(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol

Description: The molecule is a carbobicyclic compound that is bicyclo[3.1.1]hept-2-ene which is substituted by a hydroxymethyl group at position 2, a 2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl group at position 4, and two methyl groups at position 6 (the 1S,4S,5S stereoisomer). A highly selective and effective cannabinoid type-2 agonist and the enantiomer of HU-433. It has a role as a CB2 receptor agonist, an anti-inflammatory agent, a bone density conservation agent, an apoptosis inhibitor and an antihypertensive agent. It is a bridged compound, a carbobicyclic compound, an aromatic ether, a synthetic cannabinoid and a primary allylic alcohol.

SMILES: CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1

SELFIES: [C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Ring2][C@H1][C][=C][Branch1][Ring1][C][O][C@H1][C][C@@H1][Ring1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1

Molecular Properties:
- Polar Surface Area: 38.7 Ų
- LogP: 7.4