Compound Identification
SMILES
CCCN(C)[C@@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/COC3[C@H](O)C(C)=C[C@@H](C(=O)OC4CC(C\C=C1/C)OC1(CC[C@H](C)[C@H](O1)C(C)CC)C4)[C@]23O
InChIKey
InChIKey=SMUNWKUUFNKEGT-WIDNPOKNSA-N
Formula
C52H83NO13
Mass
930.23
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
Aminoglycosides O-glycosyl compounds Ketals Oxanes Monosaccharides Tertiary alcohols Oxolanes Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Lactones Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Aminoglycoside core - Glycosyl compound - O-glycosyl compound - Ketal - Amino saccharide - Monosaccharide - Oxane - Oxolane - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic 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