Molecule ID: 11186717

IUPAC Name: 7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one

Description: The molecule is a member of the class of 7-hydroxyisoflavones that is isoflavone with hydroxy groups at C-7 and C-3' positions and a 2,2-dimethylpyran ring fused to ring B across positions C-4' and C-5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has a role as a metabolite, an antimicrobial agent and a radical scavenger.

SMILES: CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)cc(O)c2O1

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

InChI: InChI=1S/C20H16O5/c1-20(2)6-5-11-7-12(8-16(22)19(11)25-20)15-10-24-17-9-13(21)3-4-14(17)18(15)23/h3-10,21-22H,1-2H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.4