Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1CCC2(CC3CC(C\C=C(C)\C[C@@H](C)\C=C\C=C4/COC5[C@H](O)C(COC6=CC(F)=C(C=C6)[N+]([O-])=O)=CC(C(=O)O3)[C@]45O)O2)O[C@@H]1C

InChIKey

InChIKey=OWHRQJFBBNTVKI-KGSMKRHASA-N

Formula

C38H48FNO10

Mass

697.797

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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 - Nitrophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Ketal - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Tertiary alcohol - Oxolane - Organic nitro compound - Lactone - Carboxylic acid ester - Secondary alcohol - C-nitro compound - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Acetal - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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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