Molecule ID: 10149453

IUPAC Name: 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoic acid

Description: The molecule is a member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 2,3-dihydroxy-5-methylphenoxy group. It has a role as an EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor and a metabolite. It is a member of benzoic acids, a member of catechols and an aromatic ether.

SMILES: Cc1cc(O)c(O)c(Oc2cc(C)c(C(=O)O)c(O)c2)c1

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

InChI: InChI=1S/C15H14O6/c1-7-3-11(17)14(18)12(4-7)21-9-5-8(2)13(15(19)20)10(16)6-9/h3-6,16-18H,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 3.2