Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Harmala alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Harmala alkaloids

Alternative Parents

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

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