Molecule ID: 14018343

IUPAC Name: 16-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexadecanoic acid

Description: The molecule is the O-feruloyl derivative of 16-hydroxyhexadecanoic acid. It derives from a ferulic acid. It is a conjugate acid of a 16-feruloyloxypalmitate.

SMILES: COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)ccc1O

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

InChI: InChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 7.8