Molecule ID: 23669636

IUPAC Name: sodium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Description: The molecule is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ferulic acid by a sodium ion. It has a role as a plant metabolite, an antioxidant, a MALDI matrix material, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It contains a ferulate.

SMILES: COc1cc(/C=C/C(=O)O)ccc1[O-].[Na+]

SELFIES: [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O-1].[Na+1]

InChI: InChI=1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);/q;+1/p-1/b5-3+;

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: nan