Molecule ID: 102304306

IUPAC Name: 6,8-dihydroxy-3-(2-oxopropyl)isochromen-1-one

Description: The molecule is a member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2-oxopropyl group at position 3 and by hydroxy groups at positions 6 and 8. It has a role as an Aspergillus metabolite. It is a hexaketide, a member of isocoumarins, a methyl ketone and a member of phenols.

SMILES: CC(=O)Cc1cc2cc(O)cc(O)c2c(=O)o1

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

InChI: InChI=1S/C12H10O5/c1-6(13)2-9-4-7-3-8(14)5-10(15)11(7)12(16)17-9/h3-5,14-15H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 1.4