Compound Identification
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/COC5[C@H](O)C(COC(=O)C6=CC=CN6)=CC(C(=O)O3)[C@]45O)O2)O[C@@H]1C
InChIKey
InChIKey=CKRJPYYQWZCUGP-UUPVMDFSSA-N
Formula
C36H47NO9
Mass
637.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Milbemycins
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Milbemycins
Intermediate Tree Nodes
Not available
Direct Parent
Milbemycins
Alternative Parents
Pyrrole carboxylic acids and derivatives Ketals Dicarboxylic acids and derivatives Oxanes Substituted pyrroles Tertiary alcohols Heteroaromatic compounds Oxolanes Lactones Carboxylic acid esters Secondary alcohols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Pyrrole-2-carboxylic acid or derivatives - Ketal - Dicarboxylic acid or derivatives - Oxane - Substituted pyrrole - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Oxolane - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Acetal - Ether - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as milbemycins. These are a group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species.
External Descriptors
Not available