Structure Information
Structure

Compound Identification

SMILES

[2H]C([2H])(C)N1[C@@]2([2H])C([2H])([2H])C(C)(C)[C@]1([2H])C([2H])(C)[C@@]([2H])(SCC(=O)O[C@@H]1C(C)[C@@](C)(\C=C/C)[C@@H](O)[C@H](C)C34CCC(=O)C3C1(C(C)C)C(CC4)C(C)C)C2([2H])[2H]

InChIKey

InChIKey=FCFXQWIDZNCIGF-YZVFKTALSA-N

Formula

C40H67NO4S

Mass

668.1

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Mutilane diterpenoids - Mutilin derivatives

Direct Parent

Pleuromutilin and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Pleuromutilin - Tropane alkaloid - Piperidine - N-alkylpyrrolidine - Cyclic alcohol - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Alcohol - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.

External Descriptors

Not available

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