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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Milbemycins
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Milbemycins
Intermediate Tree Nodes
Not available
Direct Parent
Milbemycins
Alternative Parents
Phthalazinones Disaccharides O-glycosyl compounds Dialkylarylamines Pyridazinones Fatty acid esters Ketals Benzenoids Oxanes Dicarboxylic acids and derivatives N-acyl amines Tertiary alcohols Oxolanes Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Secondary alcohols Lactones Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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