Compound Identification
SMILES
CON=C(C(=O)O[C@@H]1[C@@H](C)\C=C\C=C2/COC3[C@H](O)C(COC(=O)C4=CC=CN4)=CC(C(=O)O[C@H]4C[C@@H](C\C=C1/C)OC1(CC[C@H](C)[C@@H](C)O1)C4)[C@]23O)C1=CC=CC=C1
InChIKey
InChIKey=ZZBQTBHCKLXEJH-LDUZATCDSA-N
Formula
C45H54N2O12
Mass
814.929
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
Tricarboxylic acids and derivatives Pyrrole carboxylic acids and derivatives Ketals Benzene and substituted derivatives Substituted pyrroles Oxanes Tertiary alcohols Heteroaromatic compounds Oxolanes Lactones Secondary alcohols Carboxylic acid esters Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Tricarboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Ketal - Monocyclic benzene moiety - Oxane - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Oxolane - Pyrrole - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxygen 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