Molecule ID: 101634633

IUPAC Name: (3R,3aR,4S,7R,7aR)-4,7a-dimethyl-3-(2-methylprop-2-enyl)-2,3,3a,5,6,7-hexahydro-1H-indene-4,7-diol

Description: The molecule is a sesquiterpenoid that is (+)-homalomenol A in which the double bond of the 2-methylpropen-1-yl group has migrated from the 1-2 position to the 2-3 position. It has a role as a plant metabolite. It is a carbobicyclic compound, a diol, a secondary alcohol, a tertiary alcohol, an olefinic compound and a sesquiterpenoid.

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

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

InChI: InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 3.2