Compound Identification
SMILES
CC[NH+]1CCC2=C(NC3=CC=CC=C23)[C@@H]1C1=C(O)N(CC=C)C(=O)NC1=O
InChIKey
InChIKey=LFNJUWIETACDML-KRWDZBQOSA-O
Formula
C20H23N4O3
Mass
367.428
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 Hydroxypyrimidines Pyrimidones Benzenoids Hydropyrimidines Vinylogous amides Vinylogous acids Heteroaromatic compounds Quaternary ammonium salts Pyrroles Ureas Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole or derivatives - Indole - Aralkylamine - Hydroxypyrimidine - Pyrimidone - Benzenoid - Pyrimidine - Hydropyrimidine - Quaternary ammonium salt - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Pyrrole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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