Compound Identification
SMILES
CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@H](OCCCC3=CC=C(NC(C)=O)C=C3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIKey
InChIKey=QDCZIXNDUUOORU-KVRMGRSISA-N
Formula
C43H59NO9
Mass
733.943
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
Acetanilides N-acetylarylamines Ketals Oxanes Acetamides Tertiary alcohols Oxolanes Secondary alcohols Lactones Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Ketal - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Tertiary alcohol - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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