Molecule ID: 10319100

IUPAC Name: 2-[(3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-3-methylnaphthalen-1-ol

Description: The molecule is an isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 1-hydroxy-8-methoxy-3-methylnaphthalen-2-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 antiplasmodial drug, a trypanocidal drug and an antileishmanial agent. It is an isoquinoline alkaloid, a member of naphthols, a methoxynaphthalene, an aromatic ether, a member of methylnaphthalenes, a biaryl and a member of isoquinolines.

SMILES: COc1cc(OC)c(-c2c(C)cc3cccc(OC)c3c2O)c2c1C(C)=N[C@@H](C)C2

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

InChI: InChI=1S/C25H27NO4/c1-13-10-16-8-7-9-18(28-4)23(16)25(27)21(13)24-17-11-14(2)26-15(3)22(17)19(29-5)12-20(24)30-6/h7-10,12,14,27H,11H2,1-6H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.3 Ų
- LogP: 4.8