Molecule ID: 12304530

IUPAC Name: 2,4,5-trihydroxy-7-methyl-1-(4,5,7-trihydroxy-2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione

Description: The molecule is a member of the class of bianthracenes resulting from the oxidative dimerisation of emodin between position 4 of one molecule and position 5 of the other. It derives from an emodin.

SMILES: Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(C)cc(O)c3c1C(=O)c1cc(O)cc(O)c1C3=O)C2=O

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

InChI: InChI=1S/C30H18O10/c1-9-3-12-20(14(32)4-9)29(39)24-18(36)8-17(35)22(26(24)27(12)37)19-10(2)5-15(33)23-25(19)28(38)13-6-11(31)7-16(34)21(13)30(23)40/h3-8,31-36H,1-2H3

Molecular Properties:
- Polar Surface Area: 190.0 Ų
- LogP: 5.1