Structure Information
Structure

Compound Identification

SMILES

NCCC(=O)N1CCC2=C(NC3=C2C=C(OC(F)(F)F)C=C3)C1C1=CC(O)=CC=C1

InChIKey

InChIKey=FHAFMTSUGDDCSE-UHFFFAOYSA-N

Formula

C21H20F3N3O3

Mass

419.404

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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 - Beta amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Trihalomethane - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Primary amine - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Halomethane - Amine - Organofluoride - Alkyl halide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - 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

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