Molecule ID: 146672235

IUPAC Name: 7-(4,5-dihydroxy-2-methyl-6-oxido-9,10-dioxoanthracen-1-yl)-1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-olate

Description: The molecule is a phenolate anion that is the dianion of cladofulvin, obtained from the deprotonation of the 6 and 7'-hydroxy groups. Major species at pH 7.3. It is a conjugate base of a cladofulvin.

SMILES: Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)c1ccc([O-])c(O)c1C3=O)C(=O)c1c(ccc([O-])c1O)C2=O

SELFIES: [C][C][=C][C][=C][Branch2][Ring2][N][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O-1][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][Branch1][C][O-1][=C][Ring1][#Branch1][O][C][Ring2][Ring2][Ring2][=O]

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

Molecular Properties:
- Polar Surface Area: 195.0 Ų
- LogP: 6.4