Molecule ID: 10383449

IUPAC Name: (E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Description: The molecule is an enamide obtained by the formal condensation of ferulic acid with 2-(4-butylphenyl)ethanamine. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). It has a role as an EC 3.2.1.20 (alpha-glucosidase) inhibitor and a plant metabolite. It is an enamide, a member of guaiacols and a secondary carboxamide. It derives from a ferulic acid.

SMILES: CCCCc1ccc(CCN=C(O)/C=C/c2ccc(O)c(OC)c2)cc1

SELFIES: [C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C22H27NO3/c1-3-4-5-17-6-8-18(9-7-17)14-15-23-22(25)13-11-19-10-12-20(24)21(16-19)26-2/h6-13,16,24H,3-5,14-15H2,1-2H3,(H,23,25)/b13-11+

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 5.1