Molecule ID: 6440615

IUPAC Name: (2E,4E,8Z,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

Description: The molecule is an enamide obtained by the formal condensation of 2-methylpropanamine with tetradeca-2,4,8,10,12-pentaenoic acid (the 2E,4E,8Z,10E,12E stereoisomer). Isolated from Zanthoxylum piperitum, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor and a plant metabolite. It is an enamide and a secondary carboxamide. It derives from a 2-methylpropanamine.

SMILES: C/C=C/C=C/C=C\CC/C=C/C=C/C(O)=NCC(C)C

SELFIES: [C][/C][=C][/C][=C][/C][=C][\C][C][/C][=C][/C][=C][/C][Branch1][C][O][=N][C][C][Branch1][C][C][C]

InChI: InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+

Molecular Properties:
- Polar Surface Area: 29.1 Ų
- LogP: 4.9