Molecule ID: 3565

IUPAC Name: 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol

Description: The molecule is a harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and an algal metabolite. It derives from a hydride of a harman.

SMILES: CC1=NCCc2c1[nH]c1cc(O)ccc21

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

InChI: InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3

Molecular Properties:
- Polar Surface Area: 48.4 Ų
- LogP: 1.7