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)NCCSC(=O)C1=CC=CC=C1
InChIKey
InChIKey=AOPXVOOLTGDQQW-BBIAAJLNSA-N
Formula
C61H88N2O15S
Mass
1121.43
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 Thiobenzoic acids and derivatives Benzoic acids and derivatives Benzoyl derivatives Piperidines Oxanes Tertiary carboxylic acid amides Carbamate esters Thioesters Secondary alcohols Carbothioic S-esters Carboxylic acid esters Cyclic ketones Hemiacetals Lactams Lactones Dialkyl ethers Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide lactam - Alpha-amino acid ester - Macrolide - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Oxane - Piperidine - Benzenoid - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxylic acid ester - Thiocarboxylic acid ester - Ketone - Secondary alcohol - Lactone - Carboxamide group - Hemiacetal - Cyclic ketone - Lactam - Carbothioic s-ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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