Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=NC(=C2NC3=CC=CC=C3C2=C1)C1=C(OC)C=C(OC)C=C1

InChIKey

InChIKey=GEIKMDZCEOFNAC-UHFFFAOYSA-N

Formula

C21H18N2O4

Mass

362.385

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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 - 2-phenylpyridine - Dimethoxybenzene - M-dimethoxybenzene - Indole - Indole or derivatives - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - 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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