Compound Identification
SMILES
CC[C@H]1OC2(CC[C@@H]1C)CC1CC(C\C=C(C)\C[C@@H](C)\C=C\C=C3/COC4[C@H](O)C(COC(=O)NC5=CC=C(Cl)C=C5)=CC(C(=O)O1)[C@]34O)O2
InChIKey
InChIKey=XQGBXHGIKAHEEN-TWPXFQFESA-N
Formula
C39H50ClNO9
Mass
712.28
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
Phenylcarbamic acid esters Chlorobenzenes Ketals Oxanes Aryl chlorides Tertiary alcohols Oxolanes Carbamate esters Secondary alcohols Carboxylic acid esters Lactones Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Phenylcarbamic acid ester - Ketal - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Carbamic acid ester - Tertiary alcohol - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Dialkyl ether - Ether - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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