Molecule ID: 135563709

IUPAC Name: 3,6,7,9-tetrahydroxy-3-methyl-2H-benzo[f]chromen-1-one

Description: The molecule is a naphtho-gamma-pyrone that is 3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one substituted by hydroxy groups at positions 3,6,7 and 9. It is a member of phenols, a naphtho-gamma-pyrone, a heptaketide and a cyclic hemiketal. It is a conjugate acid of a 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one(1-).

SMILES: CC1(O)CC(=O)c2c(cc(O)c3c(O)cc(O)cc23)O1

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

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

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