Structure Information
Structure

Compound Identification

SMILES

CC1N(N=O)C(CC2=C1NC1=CC=CC=C21)C(O)=O

InChIKey

InChIKey=GIRHIRGKYLQEQN-UHFFFAOYSA-N

Formula

C13H13N3O3

Mass

259.265

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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 - Pyridoindole - Beta-carboline - 3-alkylindole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Organic n-nitroso compound - Organic nitroso compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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