Molecule ID: 25203443

IUPAC Name: 7-hydroxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one

Description: The molecule is an methoxyisoflavone having methoxy substituents at the 6- and 2'-positions, a hydroxy group at position 7 and a methylenedioxy moiety at the 4'- and 5'-positions. It is a methoxyisoflavone, a member of 7-hydroxyisoflavones and a member of benzodioxoles. It derives from an isoflavone. It is a conjugate acid of a dalpatein(1-).

SMILES: COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1O

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

InChI: InChI=1S/C18H14O7/c1-21-13-6-17-16(24-8-25-17)3-9(13)11-7-23-14-5-12(19)15(22-2)4-10(14)18(11)20/h3-7,19H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 2.6