Molecule ID: 25164057

IUPAC Name: 4,5,7-trihydroxy-3-(2,4,5-trihydroxy-7,8-dioxonaphthalen-1-yl)naphthalene-1,2-dione

Description: The molecule is a ring assembly compound consisting of two flaviolin units joined by a 3,8'-linkage. It derives from a flaviolin. It is a conjugate acid of a 3,8'-biflaviolin 2,2'-diolate.

SMILES: O=C1C=C(O)c2c(O)cc(O)c(C3=C(O)c4c(O)cc(O)cc4C(=O)C3=O)c2C1=O

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

InChI: InChI=1S/C20H10O10/c21-5-1-6-12(7(22)2-5)19(29)16(20(30)17(6)27)14-10(25)3-8(23)13-9(24)4-11(26)18(28)15(13)14/h1-4,21-25,29H

Molecular Properties:
- Polar Surface Area: 190.0 Ų
- LogP: 1.1