Compound Identification
SMILES
C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C1=C(OS(=O)(=O)C2=CC=C(C)C=C2)SC(C)=N1
InChIKey
InChIKey=QZLKCJAWDWFGBP-IZMKRRFYSA-N
Formula
C33H45NO9S2
Mass
663.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Epothilones and analogues
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Epothilones and analogues
Intermediate Tree Nodes
Not available
Direct Parent
Epothilones and analogues
Alternative Parents
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds 2,4,5-trisubstituted thiazoles Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic ketones Lactones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Epoxides Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epothilone - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-thiazole - Toluene - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as epothilones and analogues. These are macrolides consisting of a 16-member lactone ring conjugated at the carbon 16 with a 1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group. Some epothilone analogues containing a lactam ring instead of the lactone ring.
External Descriptors
Not available