Molecule ID: 10002166

IUPAC Name: (3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline

Description: The molecule is an isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities. It has a role as a metabolite, an antileishmanial agent, an antiplasmodial drug and a trypanocidal drug. It is an aromatic ether, an isoquinoline alkaloid, a methoxynaphthalene, a member of methylnaphthalenes, a biaryl and a member of isoquinolines.

SMILES: COc1cc(OC)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@@H](C)C2

SELFIES: [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][#C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1][C][Branch1][C][C][=N][C@@H1][Branch1][C][C][C][Ring1][Branch2]

InChI: InChI=1S/C26H29NO4/c1-14-10-18-17(8-9-20(28-4)26(18)21(11-14)29-5)25-19-12-15(2)27-16(3)24(19)22(30-6)13-23(25)31-7/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 5.2