Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next