Compound Identification
SMILES
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)C1(CO)SS3
InChIKey
InChIKey=FIVPIPIDMRVLAY-ZKVOIBSNSA-N
Formula
C13H14N2O4S2
Mass
326.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
-
Level 5
Dioxopiperazines
-
Level 6
2,5-dioxopiperazines
-
Level 7
Thiodioxopiperazines
-
Level 8
Epipolythiodioxopiperazines
- Level 9 Gliotoxins
-
Level 8
Epipolythiodioxopiperazines
-
Level 7
Thiodioxopiperazines
-
Level 6
2,5-dioxopiperazines
-
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 Tertiary amines Secondary alcohols Organic disulfides Lactams Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Gliotoxin-skeleton - Alpha-amino acid or derivatives - Indole or derivatives - N-alkylpiperazine - N-methylpiperazine - Dithiazinane - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Organic disulfide - Secondary alcohol - Tertiary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Carbonyl group - 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