Compound Identification
SMILES
CCCN1C(Nc2ccccc2C1=O)c1nc(cc2c3ccccc3[nH]c12)C(=O)OC
InChIKey
InChIKey=CDRIAUCEFLOZKZ-UHFFFAOYSA-N
Formula
C24H22N4O3
Mass
414.465
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 Quinazolines Indoles Pyridinecarboxylic acids Secondary alkylarylamines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Methyl esters Lactams Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Diazanaphthalene - Quinazoline - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Lactam - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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