Molecule ID: 1470

IUPAC Name: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone that is 2,3-dihydroneobavaisoflavone with an additional hydroxy group at position 2'. Isolated from Erythrina lysistemon, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It derives from a neobavaisoflavone.

SMILES: CC(C)=CCc1c(O)ccc(C2COc3cc(O)ccc3C2=O)c1O

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]

InChI: InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,21-23H,5,10H2,1-2H3

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 3.9