Compound Identification
SMILES
COC1CC(OC2C(C)OC(CC2OC)OC2C(C)\C=C\C=C3/COC4\C(=N\O)C(C)=CC(C(=O)OC5CC(C\C=C2/C)OC2(C5)CC(O)C(C)C(O2)C(C)C)C34O)OC(C)C1O
InChIKey
InChIKey=VKKVUMHKWGIZIE-DLNCAYFVSA-N
Formula
C47H71NO15
Mass
890.077
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Milbemycins
-
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
Disaccharides O-glycosyl compounds Ketals Oxanes Oxolanes Tertiary alcohols Lactones Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Oximes Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tertiary alcohol - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Oxime - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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