Compound Identification
SMILES
COC(=S)N1CCC2(CC1)NCCC1=C2NC2=CC=CC=C12
InChIKey
InChIKey=BUAUONNEEUEJGN-UHFFFAOYSA-N
Formula
C17H21N3OS
Mass
315.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Beta carbolines 3-alkylindoles Aralkylamines Piperidines Benzenoids Thiocarbamic acid esters Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Thiocarbamic acid ester - Thiocarbamic acid derivative - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
External Descriptors
Not available