Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C(O)O)C(CC1NCCC2=C1NC1=C2C=CC=C1)C(C=C)C=O

InChIKey

InChIKey=ABTFVYRMOPVGEM-UHFFFAOYSA-N

Formula

C21H26N2O5

Mass

386.448

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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 - Delta amino acid or derivatives - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Fatty acid ester - Aralkylamine - Hydroxy acid - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Carbonyl hydrate - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organonitrogen 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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