Compound Identification
SMILES
C[C@H]1CCCC2N=C(O[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=CSC(C)=N1)C1=CC=C(C)C=C1
InChIKey
InChIKey=LHRNOHGSYOYPFM-AFRVXEHJSA-N
Formula
C34H46N2O6S
Mass
610.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Epothilones and analogues
-
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
Fatty acid esters Beta hydroxy acids and derivatives 2,4-disubstituted thiazoles Beta-hydroxy ketones Benzene and substituted derivatives Oxazolines Heteroaromatic compounds Secondary alcohols Lactones Imidothioesters Cyclic ketones Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Imidothioic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epothilone - Fatty acid ester - Beta-hydroxy acid - 2,4-disubstituted 1,3-thiazole - Fatty acyl - Benzenoid - Hydroxy acid - Beta-hydroxy ketone - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Oxazoline - Azole - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Imidothioester - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Imidothioic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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