Molecule ID: 42638973

IUPAC Name: 2-[(1R,3aS,8aR)-6-(hydroxymethyl)-3a-methyl-2,3,4,5,8,8a-hexahydro-1H-azulen-1-yl]propan-2-ol

Description: The molecule is a sesquiterpenoid isolated from Schisandra wilsoniana and has been shown to exhibit anti-HBV activity. It has a role as a metabolite and an anti-HBV agent. It is a sesquiterpenoid, a diol, a primary alcohol and a tertiary alcohol.

SMILES: CC(C)(O)[C@@H]1CC[C@@]2(C)CCC(CO)=CC[C@H]12

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

InChI: InChI=1S/C15H26O2/c1-14(2,17)12-7-9-15(3)8-6-11(10-16)4-5-13(12)15/h4,12-13,16-17H,5-10H2,1-3H3/t12-,13-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 2.4