Structure Information
Structure

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

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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 - 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

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