Structure Information
Structure

Compound Identification

SMILES

CCC1N(CCC2=C1NC1=CC=CC=C21)S(=O)(=O)C1=C(OC)C=CC(Br)=C1

InChIKey

InChIKey=QHLVWEYREUBRPY-UHFFFAOYSA-N

Formula

C20H21BrN2O3S

Mass

449.36

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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 - 3-alkylindole - Benzenesulfonamide - Indole or derivatives - Indole - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Aryl bromide - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen 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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