Molecule ID: 216328

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

Description: The molecule is a naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8. It has a role as an Aspergillus metabolite and a marine metabolite. It is a naphtho-gamma-pyrone, a cyclic hemiketal, a member of phenols, an aromatic ether and a heptaketide.

SMILES: COc1cc(O)cc2cc3c(c(O)c12)C(=O)CC(C)(O)O3

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

InChI: InChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.1