Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/COC5[C@H](O)C(COC(=O)C6=CC=CN6)=CC(C(=O)O3)[C@]45O)O2)O[C@@H]1C

InChIKey

InChIKey=CKRJPYYQWZCUGP-UUPVMDFSSA-N

Formula

C36H47NO9

Mass

637.77

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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

Aromatic heteropolycyclic compounds

Substituents

Milbemycin - Pyrrole-2-carboxylic acid or derivatives - Ketal - Dicarboxylic acid or derivatives - Oxane - Substituted pyrrole - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Oxolane - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Acetal - Ether - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic 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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