Molecule ID: 160596

IUPAC Name: 2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one

Description: The molecule is a naphtho-gamma-pyrone that is fonsecin in which the hydroxy group at position 8 (meta to the methoxy group) has been converted to the corresponding methyl ether. Found in Aspergillus fonsecaeus. It has a role as an Aspergillus metabolite. It is a naphtho-gamma-pyrone, an aromatic ether, a member of phenols and a cyclic hemiketal. It derives from a fonsecin.

SMILES: COc1cc(OC)c2c(O)c3c(cc2c1)OC(C)(O)CC3=O

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

InChI: InChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.4