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)NC(CCC1=CNC2=CC=CC=C12)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=ZKXVKCPNCBLDMP-YSAWCIGOSA-N
Formula
C71H97N3O16
Mass
1248.562
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
Macrolides and analogues Alpha amino acid esters Tryptamines and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Dicarboxylic acids and derivatives Substituted pyrroles Piperidines Oxanes Carbamate esters Heteroaromatic compounds Tertiary carboxylic acid amides Lactones Lactams Hemiacetals Carboxylic acid esters Secondary alcohols Cyclic ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide lactam - Alpha-amino acid ester - Macrolide - Triptan - Alpha-amino acid or derivatives - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Monocyclic benzene moiety - Oxane - Piperidine - Substituted pyrrole - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Hemiacetal - Cyclic ketone - Ketone - Lactam - Lactone - Secondary alcohol - Azacycle - Ether - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen 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