Molecule ID: 13970960

IUPAC Name: (6S)-2-methyl-6-(4-methylphenyl)heptan-4-one

Description: The molecule is a sesquiterpenoid that is 2-methylheptan-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. It has a role as a plant metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a sesquiterpenoid, a ketone and a member of toluenes.

SMILES: Cc1ccc([C@@H](C)CC(=O)CC(C)C)cc1

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

InChI: InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 3.8