Molecule ID: 9881423

IUPAC Name: 13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

Description: The molecule is an indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. It has a role as a metabolite, an antineoplastic agent and an antiplasmodial drug. It is an indole alkaloid, an aromatic ether and an organic heterotetracyclic compound. It derives from a canthin-6-one.

SMILES: COc1ccc2c3ccnc4ccc(=O)n(c2c1)c43

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

InChI: InChI=1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3

Molecular Properties:
- Polar Surface Area: 44.1 Ų
- LogP: 2.4