Structure Information
Structure

Compound Identification

SMILES

NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F.CO[C@H]1C[C@H](O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4\C(=N/O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(CC[C@H](C)[C@H](O2)C2CCCCC2)C5)[C@]34O)O[C@@H](C)[C@@H]1O

InChIKey

InChIKey=KYCSKTXVGOKTPC-RBPJARIZSA-N

Formula

C55H67Cl2F6N5O12S

Mass

1207.11

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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

Not available

Substituents

Milbemycin - O-glycosyl compound - Phenylpyrazole - Glycosyl compound - Trifluoromethylbenzene - 1,3-dichlorobenzene - Ketal - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Oxane - Monocyclic benzene moiety - Monosaccharide - Primary aromatic amine - Benzenoid - Azole - Oxolane - Heteroaromatic compound - Pyrazole - Tertiary alcohol - Lactone - Trihalomethane - Secondary alcohol - Sulfoxide - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxime - Organosulfur compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Halomethane - Organic oxide - Organic oxygen compound - Organopnictogen compound - Primary amine - Cyanide - Carbonyl group - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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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