Molecule ID: 6506170

IUPAC Name: (2E,6E,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide

Description: The molecule is an enamide obtained by the fromal condensation of 2-methylpropanamine with dodeca-2,6,8,10-tetraenoic acid (the 2E,6E,8E,10E 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(O)=NCC(C)C

SELFIES: [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/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+

Molecular Properties:
- Polar Surface Area: 29.1 Ų
- LogP: 4.2