Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(C=C1)[C@H]1N(CCCNC2=C3C=CC(Cl)=CC3=NC=C2)[C@H](CC2=C1NC1=CC=CC=C21)C(=O)OC

InChIKey

InChIKey=CWSMPYQZXVYLHM-XLJNKUFUSA-N

Formula

C33H33ClN4O2

Mass

553.1

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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 - Alpha-amino acid ester - Pyridoindole - Beta-carboline - 4-aminoquinoline - Haloquinoline - Aminoquinoline - Chloroquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole or derivatives - Indole - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl chloride - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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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