Structure Information
Structure

Compound Identification

SMILES

CC(C)CCOC(=O)C1=NC(=C2NC3=CC=CC=C3C2=C1)C1=NC2=C(C=C1)C(=O)C=C(NC(C)=O)C2=O

InChIKey

InChIKey=IULYISAJSPLCCM-UHFFFAOYSA-N

Formula

C28H24N4O5

Mass

496.523

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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 - Bipyridine - Quinoline quinone - Dihydroquinoline - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl ketone - Pyridine - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen 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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