Molecule ID: 7428

IUPAC Name: methyl 3,4,5-trihydroxybenzoate

Description: The molecule is a gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. It has a role as a plant metabolite, an anti-inflammatory agent and an antioxidant.

SMILES: COC(=O)c1cc(O)c(O)c(O)c1

SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]

InChI: InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 0.9