Molecule ID: 11687449

IUPAC Name: 4-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 canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is an indole alkaloid, an enol ether, an enone and an organic heterotetracyclic compound. It derives from a canthin-6-one.

SMILES: COc1cc(=O)n2c3ccccc3c3ccnc1c32

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

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

Molecular Properties:
- Polar Surface Area: 44.1 Ų
- LogP: 2.1