Structure Information
Structure

Compound Identification

SMILES

CN1C2=CC=CC=C2C2=C1\C(NCC2)=C1/CCCOC1=O

InChIKey

InChIKey=NHRGTMJOUPMJEH-SQFISAMPSA-N

Formula

C17H18N2O2

Mass

282.343

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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 - 3-alkylindole - Indole - Indole or derivatives - Delta valerolactone - Delta_valerolactone - Aralkylamine - N-methylpyrrole - Oxane - Substituted pyrrole - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Pyrrole - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Enamine - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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