Molecule ID: 23674757

IUPAC Name: sodium;3,4,5-trihydroxybenzoate

Description: The molecule is an organic sodium salt resulting from the replacement of the proton from the carboxy group of gallic acid by a sodium ion. It has a role as an antineoplastic agent, an antioxidant, an apoptosis inducer, an astringent, a cyclooxygenase 2 inhibitor, a human xenobiotic metabolite and an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor. It contains a gallate.

SMILES: O=C(O)c1cc([O-])c(O)c(O)c1.[Na+]

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

InChI: InChI=1S/C7H6O5.Na/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: nan