Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C(=C1)C1NCCC2=C1NC1=C(C)C=C(C)C=C21)[N+]([O-])=O

InChIKey

InChIKey=QCEJZYGEDMTOCL-UHFFFAOYSA-N

Formula

C21H23N3O4

Mass

381.432

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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 - Nitrophenyl ether - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Nitrobenzene - Methoxyaniline - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Nitroaromatic compound - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic oxygen compound - Organic salt - 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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