Molecule ID: 1812

IUPAC Name: 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone that is 2,3-dihydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5' and 7 and geminal methyl groups at position 2'. Isolated from the roots of Erythrina lysistemon, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a polyphenol and a hydroxyisoflavanone.

SMILES: CC1(C)C=Cc2c(O)ccc(C3COc4cc(O)ccc4C3=O)c2O1

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

InChI: InChI=1S/C20H18O5/c1-20(2)8-7-13-16(22)6-5-12(19(13)25-20)15-10-24-17-9-11(21)3-4-14(17)18(15)23/h3-9,15,21-22H,10H2,1-2H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.3