Structure Information
Structure

Compound Identification

SMILES

C[C@H]1N(CCC2=C1NC1=CC=CC=C21)C(=S)NC(=O)C1=CC=CC=C1

InChIKey

InChIKey=OIYCJIFAEJFGNQ-CYBMUJFWSA-N

Formula

C20H19N3OS

Mass

349.45

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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 - 3-alkylindole - Benzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur 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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