Compound Identification
SMILES
CN1C(=O)N(C)C(=O)C(C2N(CCC3=C2NC2=CC=CC=C32)C(C)=O)=C1O
InChIKey
InChIKey=KWWMVISWBSLNJX-UHFFFAOYSA-N
Formula
C19H20N4O4
Mass
368.393
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 Hydroxypyrimidines Pyrimidones Hydropyrimidines Benzenoids Pyrroles Acetamides Vinylogous amides Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Ureas Lactams Amino acids and derivatives Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Pyridopyrimidine - 3-alkylindole - Indole - Indole or derivatives - Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Benzenoid - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Acetamide - Urea - Carboxamide group - Lactam - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - 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