Structure Information
Structure

Compound Identification

SMILES

CC(C)C1OC2(CCC1C)CC1CC(C\C=C(C)\C(SC3=CC=CC=C3)C(C)\C=C\C=C3/COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

InChIKey

InChIKey=LWPKGPXMJKMZKJ-DPCRTXALSA-N

Formula

C39H52O7S

Mass

664.9

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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 - Aryl thioether - Thiophenol ether - Ketal - Alkylarylthioether - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Thioether - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Alcohol - 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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