Compound Identification
SMILES
CN1C(=O)[C@]23CC4=CC=C[C@H](OC(C)=O)C4N2C(=O)C1(CO)SS3
InChIKey
InChIKey=ANMNRGVATKMYOR-QSORXEQWSA-N
Formula
C15H16N2O5S2
Mass
368.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
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Level 5
Dioxopiperazines
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Level 6
2,5-dioxopiperazines
-
Level 7
Thiodioxopiperazines
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Level 8
Epipolythiodioxopiperazines
- Level 9 Gliotoxins
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Level 8
Epipolythiodioxopiperazines
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Level 7
Thiodioxopiperazines
-
Level 6
2,5-dioxopiperazines
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Level 5
Dioxopiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines - Epipolythiodioxopiperazines
Direct Parent
Gliotoxins
Alternative Parents
Alpha amino acids and derivatives Indoles and derivatives N-methylpiperazines Dithiazinanes Tertiary carboxylic acid amides Pyrrolidines Carboxylic acid esters Organic disulfides Lactams Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Primary alcohols
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 - Organic disulfide - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Primary alcohol - Organonitrogen compound - Organooxygen 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