Compound Identification
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C(OCCN4CCC(CC4)C4=CC=CC=C4)[C@@H](C)\C=C\C=C4/CO[C@H]5C4[C@@H](C=C(C)[C@H]5O)C(=O)O3)O2)OC1
InChIKey
InChIKey=QSJIQWRETGWVRL-PHRUVALKSA-N
Formula
C43H59NO7
Mass
701.945
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
Phenylpiperidines Aralkylamines Ketals Oxanes Benzene and substituted derivatives Oxolanes Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Phenylpiperidine - Ketal - Aralkylamine - Monocyclic benzene moiety - Oxane - Piperidine - Benzenoid - Oxolane - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Alcohol - 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