Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=CO)[C@@H](C[C@@H]1NCCC2=C1NC1=CC=CC=C21)[C@@H](C=C)C=O

InChIKey

InChIKey=ZNZYKNKBJPZETN-AXHNFQJDSA-N

Formula

C21H24N2O4

Mass

368.433

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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 - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Enol - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - 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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