Molecule ID: 54707775

IUPAC Name: 4,7-dihydroxy-5-methylchromen-2-one

Description: The molecule is a hydroxycoumarin that is 2H-chromen-2-one substituted by a hydroxy group at positions 4 and 7, and a methyl group at position 5. It has a role as an Aspergillus metabolite and a plant metabolite. It is a conjugate acid of a 4,7-dihydroxy-5-methylcoumarin(1-).

SMILES: Cc1cc(O)cc2oc(=O)cc(O)c12

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

InChI: InChI=1S/C10H8O4/c1-5-2-6(11)3-8-10(5)7(12)4-9(13)14-8/h2-4,11-12H,1H3

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.3