Compound Identification
SMILES
CN1C2=CC=CC=C2C2=C1[C@H](C\C=C\C#N)N(CC1=CC=CC=C1)[C@H](CC#N)C2
InChIKey
InChIKey=NLMZRELNIQUGND-GBVGCNJESA-N
Formula
C25H24N4
Mass
380.495
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 3-alkylindoles Phenylmethylamines Benzylamines Aralkylamines N-methylpyrroles Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - N-methylpyrrole - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Amine - 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