Compound Identification
SMILES
CC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIKey
InChIKey=DOWQEJVXRYPATJ-PHTRSOCWSA-N
Formula
C39H58O13
Mass
734.88
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 Tertiary alcohols Lactones Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Glycosyl compound - O-glycosyl compound - Ketal - Monosaccharide - Oxane - Tertiary alcohol - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Primary alcohol - 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