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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CCC1NCCC2=C1NC1=CC=CC=C21)(SC1=CC=CC=C1)SC1=CC=CC=C1

InChIKey

InChIKey=QOSJCKSNRRQAGQ-UHFFFAOYSA-N

Formula

C28H28N2O2S2

Mass

488.66

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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 - Delta amino acid or derivatives - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aryl thioether - Thiophenol ether - Dithioketal - Fatty acid ester - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Thioacetal - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Thioether - Secondary amine - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen 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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