Compound Identification
SMILES
CC(C)CCOC(=O)C1=NC(=C2NC3=CC=CC=C3C2=C1)C1=NC2=C(C=C1)C(=O)C=C(NC(C)=O)C2=O
InChIKey
InChIKey=IULYISAJSPLCCM-UHFFFAOYSA-N
Formula
C28H24N4O5
Mass
496.523
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 Bipyridines and oligopyridines Quinoline quinones Hydroquinolines Pyridinecarboxylic acids Indoles Aryl ketones Benzenoids Acetamides Heteroaromatic compounds Vinylogous amides Pyrroles Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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 - Pyridine - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen 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