Molecule ID: 145944476

IUPAC Name: methyl 2-(9,10-dihydroxy-7-methoxy-1-oxobenzo[g]isochromen-3-yl)acetate

Description: The molecule is this is compound 8 in pmid:31045362 It is a member of phenols, a naphtho-gamma-pyrone, a cyclic hemiketal and a heptaketide.

SMILES: COC(=O)Cc1cc2cc3cc(OC)cc(O)c3c(O)c2c(=O)o1

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

InChI: InChI=1S/C17H14O7/c1-22-10-4-8-3-9-5-11(7-13(19)23-2)24-17(21)15(9)16(20)14(8)12(18)6-10/h3-6,18,20H,7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 2.8