Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=PWFLRQWYTZFHEH-NNYAVFDSSA-N

Formula

C15H18N2O6S2

Mass

386.44

Export to:

JSON SDF CSV

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 - N-alkylpiperazine - N-methylpiperazine - Dithiazinane - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Organic disulfide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary 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

Previous Back Next