Compound Identification
SMILES
COC(=O)C1=NC(=C2NC3=CC=CC=C3C2=C1C)C1=NC2=C(C=C1)C(=O)C=C(NC(C)=O)C2=O
InChIKey
InChIKey=JNJRCOSFPJAESW-UHFFFAOYSA-N
Formula
C25H18N4O5
Mass
454.442
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 Quinoline quinones Bipyridines and oligopyridines Hydroquinolines Pyridinecarboxylic acids Indoles Aryl ketones Methylpyridines Benzenoids Acetamides Vinylogous amides Pyrroles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Bipyridine - Quinoline quinone - Dihydroquinoline - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl ketone - Methylpyridine - Pyridine - Benzenoid - Methyl ester - Vinylogous amide - Pyrrole - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aldehyde - 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