Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1CC2=C(C(CCC(O)=O)N1CC1=CC=CC=C1)N(C)C1=CC=CC=C21

InChIKey

InChIKey=PWFSWGNUCOCART-UHFFFAOYSA-N

Formula

C24H26N2O4

Mass

406.482

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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 - Beta-carboline - Pyridoindole - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Dicarboxylic acid or derivatives - N-methylpyrrole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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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