Molecule ID: 74015882

IUPAC Name: 2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid

Description: The molecule is a member of the class of benzophenones that is benzophenone in which one phenyl group is substituted at positions 2 and 6 by hydroxy groups and at position 4 by a methyl group while the other is substituted at positions 2 and 6 by hydroxy and carboxy groups, respectively. It is a secondary metabolite isolated from the fungal species Graphiopsis chlorocephala, Paecilomyces variotii and Pseudopalawania siamensis. It has a role as a fungal metabolite. It is a member of benzophenones, a member of benzoic acids, a monocarboxylic acid and a member of resorcinols.

SMILES: Cc1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1

SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2]

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

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