Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=HZCZKTAHTACKIQ-NNYAVFDSSA-N

Formula

C19H21FN2O11S2

Mass

536.5

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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

Not available

Substituents

Gliotoxin-skeleton - Alpha-amino acid or derivatives - Indole or derivatives - Tricarboxylic acid or derivatives - Hydroxy fatty acid - N-alkylpiperazine - N-methylpiperazine - Halogenated fatty acid - Alpha-hydroxy acid - Dithiazinane - Fatty acyl - Hydroxy acid - Tertiary alcohol - Tertiary carboxylic acid amide - Pyrrolidine - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Amino acid or derivatives - Carboxamide group - Fluorohydrin - Tertiary amine - Halohydrin - Secondary alcohol - Lactam - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Carbonyl group - Alcohol - Amine - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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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