Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.CO[C@@H]1[C@H](O)C2=COC3=C2[C@](C)([C@@H]1O)C1=C(C2=C(C=C1)C(=O)CC2)C3=O.CO[C@H]1[C@@H](O)[C@@]2(C)C3=C(OC=C3C1=O)C(=O)C1=C2C=CC2=C1CCC2=O

InChIKey

InChIKey=NAYIQMKDQXLRSU-ZTKKMWIVSA-N

Formula

C53H48N2O16S2

Mass

1033.09

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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 - Phenanthrene - Naphthofuran - Indanone - Alpha-amino acid or derivatives - Naphthalene - Indane - Indole or derivatives - Aryl alkyl ketone - Aryl ketone - N-alkylpiperazine - N-methylpiperazine - Dithiazinane - Benzenoid - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Organic disulfide - Lactam - Ketone - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Primary alcohol - Organonitrogen compound - Organooxygen compound - 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

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