Molecule ID: 146167

IUPAC Name: 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

Description: The molecule is an aromatic ketone that is 2-hydroxy-1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It is a phytoalexin isolated from the papaya fruit and exhibits antifungal activity. It has a role as a phytoalexin, an antifungal agent and a plant metabolite. It is a dimethoxybenzene, a member of phenols, an aromatic ketone, a primary alcohol and a primary alpha-hydroxy ketone.

SMILES: COc1cc(C(=O)CO)cc(OC)c1O

SELFIES: [C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][O]

InChI: InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: -0.4