Structure Information
Structure

Compound Identification

SMILES

[H][C@]12N3C(=O)[C@@]4(COC(C)=O)SS[C@]3(CC1=CC=C[C@]2([H])O)C(=O)N4C

InChIKey

InChIKey=QLYAMRRLJDIHHT-UOVKNHIHSA-N

Formula

C15H16N2O5S2

Mass

368.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines - Epipolythiodioxopiperazines

Direct Parent

Gliotoxins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Gliotoxin-skeleton - Alpha-amino acid or derivatives - Indole or derivatives - N-alkylpiperazine - N-methylpiperazine - Dithiazinane - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Organic disulfide - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gliotoxins. These are polycyclic compounds containing the gliotoxin skeleton, which is structurally characterized by a epipolythiodioxopiperazine moiety fused to the pyrrolidine ring of an indol-7-ol derivative.

External Descriptors

Not available

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