Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@@H](N1CCNC1=C2C=CC(Cl)=CC2=NC=C1)C1=CC=C(C)C=C1

InChIKey

InChIKey=JMLWCBSCGWGRCK-DGPALRBDSA-N

Formula

C31H29ClN4O2

Mass

525.05

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