Compound Identification
SMILES
COC1CC(OC2C(C)OC(CC2OC)OC2C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)OC5CC(CC=C2C)OC2(CC(O)C(C)C(O2)C(C)C)C5)C34O)OC(C)C1O
InChIKey
InChIKey=ZPAKHHSWIYDSBJ-UHFFFAOYSA-N
Formula
C47H72O15
Mass
877.078
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 Tertiary alcohols Oxolanes Lactones Secondary alcohols Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Oxolane - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Acetal - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen 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