Compound Identification
SMILES
CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(=O)C(C)=CC(C(=O)O3)C45O)O2)CC(OS(O)(=O)=O)C1C
InChIKey
InChIKey=NDBQHSDRYACZOW-UHFFFAOYSA-N
Formula
C34H48O12S
Mass
680.81
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
Ketals Cyclohexenones Sulfuric acid monoesters Oxanes Alkyl sulfates Tetrahydrofurans Tertiary alcohols Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Ketal - Cyclohexenone - Oxane - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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