Structure Information
Structure

Compound Identification

SMILES

CCC(C)C1OC2(CCC1C)CC1CC(C\C=C(C)\C(OC3CC(OC)C(OC4CC(OC)C(OC(=O)CCC(=O)NCCCCN(CC)C5=CC6=C(C=C5)C(=O)NNC6=O)C(C)O4)C(C)O3)C(C)\C=C\C=C3/COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

InChIKey

InChIKey=WQLHCVQBESMZGD-ZJZUZUJASA-N

Formula

C66H96N4O18

Mass

1233.504

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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 - Phthalazinone - O-glycosyl compound - Disaccharide - Glycosyl compound - Diazanaphthalene - Phthalazine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fatty acid ester - Pyridazinone - Ketal - N-acyl-amine - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Benzenoid - Pyridazine - Fatty amide - Heteroaromatic compound - Oxolane - Tertiary alcohol - Tertiary amine - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Oxacycle - Acetal - Organic nitrogen compound - Organooxygen compound - Amine - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen 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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