Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C1=C(N2)C(C=CC2=CC=C(C=C2)[N+]([O-])=O)=NC=C1

InChIKey

InChIKey=RACKRQSOLIUNNO-UHFFFAOYSA-N

Formula

C20H15N3O3

Mass

345.358

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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 - Indole - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Anisole - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrole - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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