Compound Identification
SMILES
CN1C2=CC=CC=C2C2=C1C(C)=[N+](CCC[N+]1(C)CCCC1)C=C2
InChIKey
InChIKey=PYASPBSQZUDQPO-UHFFFAOYSA-N
Formula
C21H29N3
Mass
323.483
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 N-alkylindoles Indoles Methylpyridines Pyridinium derivatives N-methylpyrroles N-alkylpyrrolidines Benzenoids Tetraalkylammonium salts Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - Indole - Indole or derivatives - Methylpyridine - N-methylpyrrole - Pyridine - Benzenoid - Pyridinium - N-alkylpyrrolidine - Substituted pyrrole - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Pyrrole - Pyrrolidine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic cation - 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