Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(OCO2)C=C1C1NCCC2=C1NC1=CC=CC=C21

InChIKey

InChIKey=YPISCYOVKKTIFG-UHFFFAOYSA-N

Formula

C18H15N3O4

Mass

337.335

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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 - Benzodioxole - Indole - Indole or derivatives - Nitroaromatic compound - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Acetal - Organic oxoazanium - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Amine - Organic zwitterion - Organic oxide - Hydrocarbon derivative - 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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