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
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
O-glycosyl compounds Phenylpyrazoles Trifluoromethylbenzenes Dichlorobenzenes Ketals Aryl chlorides Monosaccharides Primary aromatic amines Oxanes Tertiary alcohols Heteroaromatic compounds Oxolanes Carboxylic acid esters Trihalomethanes Sulfoxides Lactones Secondary alcohols Nitriles Sulfinyl compounds Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Oximes Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organochlorides Organofluorides Organopnictogen compounds
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