Molecule ID: 145944474

IUPAC Name: 9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)benzo[g]isochromen-1-one

Description: The molecule is this is compound 5 in pmid:31045362 It is a cyclic hemiketal, a heptaketide, a naphtho-gamma-pyrone and a member of phenols.

SMILES: COc1cc(O)c2c(O)c3c(=O)oc(CC(C)=O)cc3cc2c1

SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][Branch1][C][C][=O][=C][C][Ring1][O][=C][C][Ring1][S][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C17H14O6/c1-8(18)3-12-6-10-4-9-5-11(22-2)7-13(19)14(9)16(20)15(10)17(21)23-12/h4-7,19-20H,3H2,1-2H3

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 2.6