Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@@H](CCCO)N1

InChIKey

InChIKey=PKEYGWIBNAUCGR-HUUCEWRRSA-N

Formula

C17H22N2O3

Mass

302.374

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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 - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - 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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