Compound Identification
SMILES
CC(C)CCOC(=O)C1=NC(=C2NC3=CC=CC=C3C2=C1)C1=NC2=C(C=C1)C(=O)C(Cl)=C(N)C2=O
InChIKey
InChIKey=OQBGILCMYAOTJD-UHFFFAOYSA-N
Formula
C26H21ClN4O4
Mass
488.93
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 Indoles Pyridinecarboxylic acids Aryl ketones Benzenoids Alpha-chloroketones Heteroaromatic compounds Vinylogous amides Vinylogous halides Pyrroles Amino acids and derivatives Carboxylic acid esters Vinyl chlorides Azacyclic compounds Enamines Chloroalkenes Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides
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 - Alpha-chloroketone - Alpha-haloketone - Pyrrole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Ketone - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Chloroalkene - Haloalkene - Vinyl chloride - Carboxylic acid derivative - Vinyl halide - Enamine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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