Compound Identification
SMILES
COC1CC(CC(C)C2CC(=O)C(C)\C=C(C)\[C@@H](O)C(OC)C(=O)[C@H](C)CC(C)\C=C\C=C\C=C(C)\C(CC3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)NCCSCC1=C(F)C=CC=C1Cl
InChIKey
InChIKey=PHQKGLABSLTCOW-IOECSDABSA-N
Formula
C61H88ClFN2O14S
Mass
1159.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Macrolide lactams
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolide lactams
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolide lactams
Alternative Parents
Alpha amino acid esters Macrolides and analogues Chlorobenzenes Fluorobenzenes Aryl chlorides Piperidines Oxanes Aryl fluorides Tertiary carboxylic acid amides Carbamate esters Secondary alcohols Carboxylic acid esters Cyclic ketones Hemiacetals Lactams Lactones Dialkylthioethers Dialkyl ethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organochlorides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide lactam - Alpha-amino acid ester - Macrolide - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Oxane - Piperidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid ester - Secondary alcohol - Ketone - Lactam - Hemiacetal - Carboxamide group - Cyclic ketone - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Dialkyl ether - Ether - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.
External Descriptors
Not available