Molecule ID: 16114922

IUPAC Name: 2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylbenzoic acid

Description: The molecule is a member of the class of benzophenones in which one phenyl group is substituted at positions 2 and 6 by hydroxy groups while the other is substituted at positions 2, 4, and 6 by hydroxy, methyl, and carboxy groups, respectively. First obtained from the fungal strain Monodictys putredinis, isolated from the inner tissue of a marine green alga, it was subsequently obtained from the fungus Aspergillus nidulans. It has a role as a metabolite. It is a member of benzophenones, a member of resorcinols, a monocarboxylic acid and a member of benzoic acids.

SMILES: Cc1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1

SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 2.6