Structure Information
Structure

Compound Identification

SMILES

CON=C(C(=O)O[C@@H]1[C@@H](C)\C=C\C=C2/COC3[C@H](O)C(COC(=O)C4=CC=CN4)=CC(C(=O)O[C@H]4C[C@@H](C\C=C1/C)OC1(CC[C@H](C)[C@@H](C)O1)C4)[C@]23O)C1=CC=CC=C1

InChIKey

InChIKey=ZZBQTBHCKLXEJH-LDUZATCDSA-N

Formula

C45H54N2O12

Mass

814.929

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