Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)C23CC4=CC=CC(OC(=O)c5ccc(cc5)N(=O)=O)C4N2C(=O)C1(COC(=O)c1ccc(cc1)N(=O)=O)SS3

InChIKey

InChIKey=WJQMBMYLHOCWQI-UHFFFAOYSA-N

Formula

C27H20N4O10S2

Mass

624.6

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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

Aromatic heteropolycyclic compounds

Substituents

Gliotoxin-skeleton - Nitrobenzoate - Alpha-amino acid or derivatives - Benzoate ester - Nitrobenzene - Indole or derivatives - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - N-alkylpiperazine - N-methylpiperazine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Dithiazinane - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Organic nitro compound - Carboxylic acid ester - Lactam - C-nitro compound - Organic disulfide - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic 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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