Structure Information
Structure

Compound Identification

SMILES

CCC(C)[C@H]1OC2(CC[C@@H]1C)CC1CC(C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([C@H](C)O4)N(C)CC4=C(F)C=CC(F)=C4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/COC4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

InChIKey

InChIKey=ZFSIEZKWUPYJAT-ZZLKQEOESA-N

Formula

C56H81F2NO13

Mass

1014.255

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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 - Aminoglycoside core - O-glycosyl compound - Glycosyl compound - Phenylmethylamine - Benzylamine - Ketal - Fluorobenzene - Aralkylamine - Halobenzene - Amino saccharide - Aryl fluoride - Oxane - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Aryl halide - Oxolane - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Lactone - Tertiary amine - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Acetal - Alcohol - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen 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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