Molecule ID: 10054040

IUPAC Name: 17-methoxy-13-(17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14(19),15,17-heptaene

Description: The molecule is an isoquinoline alkaloid that is a dimer of 10-methoxydehydroanonaine. Isolated from the roots of Polyalthia debilis, it exhibits moderate antimalarial activity by inhibiting the growth of the malarial parasite Plasmodium falciparum. It has a role as a metabolite and an antimalarial. It is an aromatic ether, a biaryl, an isoquinoline alkaloid, a member of isoquinolines and an oxacycle. It derives from a (-)-annonaine.

SMILES: COc1ccc2c(-c3c4c5c(cc6c(c5c5cc(OC)ccc35)OCO6)CCN4)c3c4c(cc5c(c4c2c1)OCO5)CCN3

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

InChI: InChI=1S/C36H28N2O6/c1-39-19-3-5-21-23(13-19)31-27-17(11-25-35(31)43-15-41-25)7-9-37-33(27)29(21)30-22-6-4-20(40-2)14-24(22)32-28-18(8-10-38-34(28)30)12-26-36(32)44-16-42-26/h3-6,11-14,37-38H,7-10,15-16H2,1-2H3

Molecular Properties:
- Polar Surface Area: 79.4 Ų
- LogP: 8.2