Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=C([NH3+])C2=C(C=C1)C1=C(N2)C(C)NCC1

InChIKey

InChIKey=RAYHOJDYVGUYQQ-UHFFFAOYSA-N

Formula

C13H18ClN3O

Mass

267.76

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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

Harmaline - Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Methoxyaniline - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Azacycle - Organic salt - Organic chloride salt - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - 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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