Structure Information
Structure

Compound Identification

SMILES

COC(=O)c1cc2c3ccccc3[nH]c2c(n1)C1Nc2ccccc2C(=O)N1Cc1ccccc1

InChIKey

InChIKey=SCSWULDBDCFKQR-UHFFFAOYSA-N

Formula

C28H22N4O3

Mass

462.509

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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 - Diazanaphthalene - Quinazoline - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Lactam - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen 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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