Molecule ID: 10263500

IUPAC Name: 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione

Description: The molecule is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an indole alkaloid and an organic heterotetracyclic compound. It derives from a canthin-6-one.

SMILES: O=c1ccc2c3cc[nH]c4ccc(=O)n(c2c1)c43

SELFIES: [O][=C][C][=C][C][=C][C][=C][NH1][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][Ring1][N][=C][Ring1][S][C][=Ring1][=Branch2][Ring1][=N]

InChI: InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,15H

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 0.0