Compound Identification
SMILES
C[C@@H]1CC[C@@]23CCC(=O)[C@@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1CCN(CC1)C(=O)CCN1C=NC2=C1N=CN=C2N1CCC(N)C1
InChIKey
InChIKey=KTBLZPJJVCAROA-SNWBVGTISA-N
Formula
C39H57N7O5S
Mass
735.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Diterpenoids
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Level 5
Mutilane diterpenoids
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Level 6
Mutilin derivatives
- Level 7 Pleuromutilin and derivatives
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Level 6
Mutilin derivatives
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Level 5
Mutilane diterpenoids
-
Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
6-alkylaminopurines N-acylpiperidines Dialkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tertiary carboxylic acid amides Pyrrolidines Heteroaromatic compounds Amino acids and derivatives Secondary alcohols Carboxylic acid esters Ketones Dialkylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pleuromutilin - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - N-acyl-piperidine - Purine - Dialkylarylamine - Aminopyrimidine - N-substituted imidazole - Piperidine - Pyrimidine - Imidolactam - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Azole - Ketone - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Carboxamide group - Azacycle - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Amine - Primary aliphatic amine - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary amine - Aromatic 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