Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1C(C)=O)C1=CC(OC)=C(OC)C=C1

InChIKey

InChIKey=RVPFBYKTOAVCLZ-UHFFFAOYSA-N

Formula

C23H24N2O5

Mass

408.454

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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 - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - O-dimethoxybenzene - Dimethoxybenzene - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Acetamide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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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