Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC2=C(NC3=C2C=CC=C3)C(=N1)C(=O)C1=CNC2=C1C=CC=C2

InChIKey

InChIKey=XAJFCGSSMHQTIO-UHFFFAOYSA-N

Formula

C21H13N3O3

Mass

355.353

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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 - Indolecarboxylic acid derivative - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl ketone - Pyridine - Substituted pyrrole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Pyrrole - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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