Compound Identification
SMILES
CC[Si](CC)(CC)O[C@H]1CC(=O)O[C@@H](C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C1(C)C)C(\C)=C\C1=CSC(CO)=N1
InChIKey
InChIKey=VESGTIBUGJOHKX-BZKSZDIKSA-N
Formula
C33H55NO6SSi
Mass
621.95
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
2,4-disubstituted thiazoles Trialkylheterosilanes Heteroaromatic compounds Silyl ethers Secondary alcohols Carboxylic acid esters Cyclic ketones Lactones Azacyclic compounds Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Epothilone - 2,4-disubstituted 1,3-thiazole - Azole - Trialkylheterosilane - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Silyl ether - Cyclic ketone - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Organoheterosilane - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic oxide - Aromatic alcohol - Organosilicon compound - Carbonyl group - Aromatic heteromonocyclic 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