Structure Information
Structure

Compound Identification

SMILES

CCCN(C)[C@@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/COC3[C@H](O)C(C)=C[C@@H](C(=O)OC4CC(C\C=C1/C)OC1(CC[C@H](C)[C@H](O1)C(C)CC)C4)[C@]23O

InChIKey

InChIKey=SMUNWKUUFNKEGT-WIDNPOKNSA-N

Formula

C52H83NO13

Mass

930.23

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Subclass

Milbemycins

Intermediate Tree Nodes

Not available

Direct Parent

Milbemycins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Milbemycin - Aminoglycoside core - Glycosyl compound - O-glycosyl compound - Ketal - Amino saccharide - Monosaccharide - Oxane - Oxolane - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen 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

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