Molecule ID: 134716635

IUPAC Name: [(4S)-4-(5,5-dimethylcyclohexen-1-yl)cyclohexen-1-yl]methanol

Description: The molecule is a sesquiterpenoid that is (S)-beta-macrocarpene in which a hydrogen of the methyl group that is attached to a double bond has been replaced by a hydroxy group. The first step in the biosynthesis of the sesquiterpene phytoalexin zealexin A1 from (S)-beta-macrocarpene in maize. It is a primary allylic alcohol and a sesquiterpenoid. It derives from a (S)-beta-macrocarpene.

SMILES: CC1(C)CCC=C([C@@H]2CC=C(CO)CC2)C1

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

InChI: InChI=1S/C15H24O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,13,16H,3,6-11H2,1-2H3/t13-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.1