Molecule ID: 44592159

IUPAC Name: methyl 3,8-dihydroxy-1-methyl-9,10-dioxo-7-(2,5,9-trihydroxy-3-methoxycarbonyl-4-methyl-10-oxoanthracen-9-yl)anthracene-2-carboxylate

Description: The molecule is a member of the class of hydroxyanthraquinones isolated from the bark of Scutia myrtina. It has been shown to exhibit antiproliferative and antimalarial activities. It has a role as a metabolite, an antimalarial and an antineoplastic agent. It is a ring assembly, a dihydroxyanthraquinone and a methyl ester.

SMILES: COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(ccc(C3(O)c4cccc(O)c4C(=O)c4c3cc(O)c(C(=O)OC)c4C)c1O)C2=O

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

InChI: InChI=1S/C34H24O12/c1-12-22-15(10-20(36)24(12)32(42)45-3)28(38)14-8-9-17(29(39)26(14)30(22)40)34(44)16-6-5-7-19(35)27(16)31(41)23-13(2)25(33(43)46-4)21(37)11-18(23)34/h5-11,35-37,39,44H,1-4H3

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: 5.9