Structure Information
Structure

Compound Identification

SMILES

CN1C(CC2=C(NC3=CC=CC=C23)C1(C(=O)CCl)C1=CC2=C(OCO2)C=C1)C([O-])=O

InChIKey

InChIKey=LEJBMGACYZQJNK-UHFFFAOYSA-M

Formula

C22H18ClN2O5

Mass

425.85

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Benzodioxole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Alpha-aminoketone - Alpha-chloroketone - Alpha-haloketone - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ketone - Amino acid - Carboxylic acid salt - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Aldehyde - Alkyl chloride - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Organic anion - 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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