Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=C2N(CCCC3=CC=CC=C3)C3=CC=CC=C3C2=CC(=N1)C([O-])=O

InChIKey

InChIKey=MPDXLTDMKIZKQH-UHFFFAOYSA-M

Formula

C22H19N2NaO2

Mass

366.396

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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 - N-alkylindole - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methylpyridine - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid salt - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - 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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