Molecule ID: 158929

IUPAC Name: 12-hydroxy-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 canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, 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=c1ccc2nccc3c4cc(O)ccc4n1c23

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

InChI: InChI=1S/C14H8N2O2/c17-8-1-3-12-10(7-8)9-5-6-15-11-2-4-13(18)16(12)14(9)11/h1-7,17H

Molecular Properties:
- Polar Surface Area: 55.1 Ų
- LogP: 2.1