Molecule ID: 5281826

IUPAC Name: 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one

Description: The molecule is a tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 7 and 4' and a 4-methyl-5-oxopyrrolidin-2-yl group at position 8. It has a role as a plant metabolite. It is a tetrahydroxyflavone, a member of pyrrolidin-2-ones and a 7-hydroxyflavonol.

SMILES: CC1CC(c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)N=C1O

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

InChI: InChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27)

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: 2.3