Compound Identification
SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@]2(C5)C[C@H](O)C(C)(C#N)[C@H](O2)C(C)C)[C@]34O)O[C@@H](C)C1NC(C)=O
InChIKey
InChIKey=JVDFQPOHRHTAEX-OTGOPWEESA-N
Formula
C50H74N2O15
Mass
943.141
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
O-glycosyl compounds Ketals Oxanes Monosaccharides Oxolanes Acetamides Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Carboxylic acid esters Lactones Polyols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Nitriles Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Glycosyl compound - O-glycosyl compound - Ketal - Monosaccharide - Oxane - Acetamide - Tertiary alcohol - Oxolane - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Polyol - Cyanide - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen 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