Molecule ID: 5280953

IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

Description: The molecule is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. It has a role as a metabolite, an anti-HIV agent and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It derives from a hydride of a harman.

SMILES: COc1ccc2c(c1)[nH]c1c(C)nccc12

SELFIES: [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch1][Ring1][O]

InChI: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3

Molecular Properties:
- Polar Surface Area: 37.9 Ų
- LogP: 3.6