Molecule ID: 15301053

IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one

Description: The molecule is a member of the class of 7-hydroxyisoflavones that is pseudobaptigenin substituted by hydroxy group at position 5. It is a member of benzodioxoles and a member of 7-hydroxyisoflavones. It derives from a pseudobaptigenin. It is a conjugate acid of a 5-hydroxypseudobaptigenin(1-).

SMILES: O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12

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

InChI: InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.8