Tetrahydroharmine

AlkaPlorer ID: AK002824

Synonym: '', 'MLS001049053', 'Tetrahydroharmine', 'MLSMR', 'SMR000386892'

IUPAC Name: (1R)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Structure

SMILES: COC1=CC=C2C3=C(NC2=C1)[C@@H](C)NCC3

copy

InChI: InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3/t8-/m1/s1

copy

InChIKey: ZXLDQJLIBNPEFJ-MRVPVSSYSA-N

copy

Properties Information

Molecule Weight: 216.284

TPSA: 37.05

MolLogP: 2.3832000000000004

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011903 COc1ccc2c3c([nH]c2c1)C(C)=NCC3>>COc1ccc2c3c([nH]c2c1)[C@@H](C)NCC3 R08486