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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
-
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 Tricarboxylic acids and derivatives Indoles and derivatives Halogenated fatty acids Hydroxy fatty acids N-methylpiperazines Alpha hydroxy acids and derivatives Dithiazinanes Tertiary carboxylic acid amides Alpha-halocarboxylic acids Tertiary alcohols Pyrrolidines Secondary alcohols Fluorohydrins Tertiary amines Lactams Organic disulfides Carboxylic acids Primary alcohols Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides
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