Molecule ID: 23724666

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

Description: The molecule is a pseudobaptigenin that is pseudobaptigenin substituted by a hydroxy groups at position 2'. It has a role as a plant metabolite. It is a hydroxyisoflavone and a member of benzodioxoles. It derives from a pseudobaptigenin.

SMILES: O=c1c(-c2cc3c(cc2O)OCO3)coc2cc(O)ccc12

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

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

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.3