Molecule ID: 5368642

IUPAC Name: (4E,6E,8E,10E,12E)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaen-3-one

Description: The molecule is an enone that is (4E,6E,8E,10E,12E)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaene in which the two methylene hydrogens at position 3 have been replaced by an oxo group. Originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite, a lipoxygenase inhibitor and a platelet aggregation inhibitor.

SMILES: CCC(=O)/C=C/C=C/C(C)=C/C=C/C=C/c1ccccc1

SELFIES: [C][C][C][=Branch1][C][=O][/C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C20H22O/c1-3-20(21)17-11-10-13-18(2)12-6-4-7-14-19-15-8-5-9-16-19/h4-17H,3H2,1-2H3/b6-4+,13-10+,14-7+,17-11+,18-12+

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 5.7