Molecule ID: 54750155

IUPAC Name: 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxypyran-2-one

Description: The molecule is a member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and (2,4-dihydroxy-6-methylphenyl)-2-oxoethyl groups respectively. It has a role as a metabolite. It is a polyketide, a member of resorcinols and a member of 2-pyranones. It derives from a 2H-pyran-2-one.

SMILES: Cc1cc(O)cc(O)c1C(=O)Cc1cc(O)cc(=O)o1

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

InChI: InChI=1S/C14H12O6/c1-7-2-8(15)4-11(17)14(7)12(18)6-10-3-9(16)5-13(19)20-10/h2-5,15-17H,6H2,1H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.6