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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
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Level 5
Dioxopiperazines
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Level 6
2,5-dioxopiperazines
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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
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Level 6
2,5-dioxopiperazines
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Level 5
Dioxopiperazines
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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
Nitrobenzoic acids and derivatives Alpha amino acids and derivatives Benzoic acid esters Indoles and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-methylpiperazines Dicarboxylic acids and derivatives Dithiazinanes Pyrrolidines Tertiary carboxylic acid amides Lactams Carboxylic acid esters Organic disulfides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
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