Compound Identification
SMILES
OC1=C(C2NCCC3=C2NC2=CC=CC=C32)C(=O)NC(=O)N1C1=CC(Cl)=CC=C1
InChIKey
InChIKey=PTMDCXOXWABMFY-UHFFFAOYSA-N
Formula
C21H17ClN4O3
Mass
408.84
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 Pyridopyrimidines Aralkylamines Chlorobenzenes Hydroxypyrimidines Pyrimidones Aryl chlorides Hydropyrimidines Heteroaromatic compounds Vinylogous amides Vinylogous acids Pyrroles Lactams Ureas Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Pyridopyrimidine - 3-alkylindole - Indole or derivatives - Indole - Hydroxypyrimidine - Aralkylamine - Halobenzene - Pyrimidone - Chlorobenzene - Aryl chloride - Hydropyrimidine - Pyrimidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrrole - Vinylogous amide - Heteroaromatic compound - Vinylogous acid - Urea - Lactam - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - 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