Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)[C@]23CC4=CC=C(F)[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3

InChIKey

InChIKey=LFHLLZLSUNSTIL-RBJBARPLSA-N

Formula

C13H13FN2O4S2

Mass

344.38

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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 - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Fluorohydrin - Halohydrin - Lactam - Organic disulfide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - 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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