Molecule ID: 70698121

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

Description: The molecule is a member of the class of 7-hydroxyisoflavones that consists of 2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5, 5' and 7 and methyl groups at positions 2' and 2'. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite.

SMILES: CC1(C)CCc2c(O)ccc(C3COc4cc(O)cc(O)c4C3=O)c2O1

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

InChI: InChI=1S/C20H20O6/c1-20(2)6-5-12-14(22)4-3-11(19(12)26-20)13-9-25-16-8-10(21)7-15(23)17(16)18(13)24/h3-4,7-8,13,21-23H,5-6,9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 3.5