Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(NC3=C2CCN[C@@H]3C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=RELZHFFZZUGYBJ-QGZVFWFLSA-N

Formula

C18H16ClN3O3

Mass

357.79

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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 - Nitrobenzene - Indole or derivatives - Indole - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Amine - Organooxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen 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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