Molecule ID: 10459657

IUPAC Name: (8S)-8-[3-(2,4-dihydroxyphenyl)-2,5,6-trihydroxyphenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one

Description: The molecule is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2', 3', and 6', a 2,4-dihyroxyphenyl group at position 5', a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7. It has a role as a metabolite. It is a trihydroxyflavanone, an extended flavonoid, a member of resorcinols and a pyranochromane.

SMILES: CC(C)=CCc1c2c(cc3c1O[C@H](c1c(O)c(O)cc(-c4ccc(O)cc4O)c1O)CC3=O)C=CC(C)(C)O2

SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][=Branch2][Ring2][=C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch2][Ring1][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Ring1][S][O][C][C][Ring2][Ring1][#Branch1][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][P]

InChI: InChI=1S/C31H30O8/c1-15(2)5-7-19-29-16(9-10-31(3,4)39-29)11-21-23(34)14-25(38-30(19)21)26-27(36)20(13-24(35)28(26)37)18-8-6-17(32)12-22(18)33/h5-6,8-13,25,32-33,35-37H,7,14H2,1-4H3/t25-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: 5.6