Molecule ID: 44157016

IUPAC Name: methyl 7-[2,5-dihydroxy-3-methoxycarbonyl-4-methyl-9-(2-methylpropanoyloxy)-10-oxoanthracen-9-yl]-3,8-dihydroxy-1-methyl-9,10-dioxoanthracene-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 methyl ester, a ring assembly and a dihydroxyanthraquinone.

SMILES: COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(ccc(C3(OC(=O)C(C)C)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][#C][C][=C][C][Branch2][Branch1][Ring2][C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Ring2][Ring1][C][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=C][Ring2][Ring2][C][O][C][Ring2][Ring2][#Branch2][=O]

InChI: InChI=1S/C38H30O13/c1-14(2)35(46)51-38(19-8-7-9-22(39)30(19)34(45)26-16(4)28(37(48)50-6)24(41)13-21(26)38)20-11-10-17-29(32(20)43)33(44)25-15(3)27(36(47)49-5)23(40)12-18(25)31(17)42/h7-14,39-41,43H,1-6H3

Molecular Properties:
- Polar Surface Area: 211.0 Ų
- LogP: 7.5