Molecule ID: 10031219

IUPAC Name: 15-methoxy-13-(15-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 8-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 isoquinoline alkaloid, an aromatic ether, an oxacycle, a biaryl, a member of isoquinolines and a ring assembly. It derives from a (-)-annonaine.

SMILES: COc1cccc2c1c(-c1c3c4c(cc5c(c4c4cccc(OC)c14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1

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

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

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