Molecule ID: 5969616

IUPAC Name: (E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Description: The molecule is a member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin. It has a role as a plant metabolite. It is a member of hydroxyindoles, a member of cinnamamides, a member of phenols, an aromatic ether and a secondary carboxamide. It derives from a ferulic acid.

SMILES: COc1cc(/C=C/C(O)=NCCc2c[nH]c3ccc(O)cc23)ccc1O

SELFIES: [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][/C][Branch1][C][O][=N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O]

InChI: InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+

Molecular Properties:
- Polar Surface Area: 94.6 Ų
- LogP: 3.0