Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1N(CCC2=C1NC1=C2C=C(Cl)C=C1)C(=O)OCCF
InChIKey
InChIKey=YPJJJQIMVJZMDE-UHFFFAOYSA-N
Formula
C23H24ClFN2O2
Mass
414.91
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 3-alkylindoles Aromatic monoterpenoids Phenylpropanes Cumenes Aryl chlorides Pyrroles Carbamate esters Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organochlorides Organofluorides Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - P-cymene - Aromatic monoterpenoid - Monoterpenoid - 3-alkylindole - Cumene - Indole - Indole or derivatives - Phenylpropane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organofluoride - 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