Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC(C)=C(Cl)C=C1C1NC(CC2=C1NC1=CC=CC=C21)C(=O)OC

InChIKey

InChIKey=SBJKHCXHEDOIRJ-UHFFFAOYSA-N

Formula

C22H23ClN2O3

Mass

398.89

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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 - Alpha-amino acid ester - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Aralkylamine - Chlorobenzene - Halobenzene - Alkyl aryl ether - Toluene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - 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

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