Compound Identification
SMILES
COC1=C(C2NCCC3=C2N(C)C2=CC=CC=C32)C(=O)N(C)C(=O)N1C
InChIKey
InChIKey=IEJQWYPDYPGUIW-UHFFFAOYSA-N
Formula
C19H22N4O3
Mass
354.41
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 N-alkylindoles Alkyl aryl ethers Aralkylamines Pyrimidones Benzenoids Hydropyrimidines N-methylpyrroles Heteroaromatic compounds Vinylogous esters Vinylogous amides Lactams Ureas Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - Pyridopyrimidine - 3-alkylindole - Indole - Indole or derivatives - Alkyl aryl ether - Pyrimidone - Aralkylamine - Benzenoid - Substituted pyrrole - Pyrimidine - N-methylpyrrole - Hydropyrimidine - Pyrrole - Vinylogous ester - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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