Compound Identification
SMILES
CC1=CC=C(C=C1)C1N(CCC2=C1NC1=C2C=C(Cl)C=C1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=WCVBADFOJPZHBH-UHFFFAOYSA-N
Formula
C26H23ClN2O2
Mass
430.93
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 Benzyloxycarbonyls 3-alkylindoles Toluenes Aryl chlorides Pyrroles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Benzyloxycarbonyl - Indole or derivatives - Indole - Toluene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Carbamic acid ester - Pyrrole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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