Molecule ID: 100923872

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

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

SMILES: CC1(O)CC(=O)c2c(cc3cc(O)cc(O)c3c2O)O1

SELFIES: [C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][O][O][Ring2][Ring1][Ring1]

InChI: InChI=1S/C14H12O6/c1-14(19)5-9(17)12-10(20-14)3-6-2-7(15)4-8(16)11(6)13(12)18/h2-4,15-16,18-19H,5H2,1H3

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 1.8