Compound Identification
SMILES
[H]C12C(O)C(=O)\C3=C/C=C/C(C)C\C(C)=C\CC4([H])CC(CC5(CCC(C)C(CC)O5)O4)OC(=O)C([H])(C=C(C)C1O)C23O
InChIKey
InChIKey=BRHBYTLDUTWJBG-MJXBDMQGSA-N
Formula
C33H46O8
Mass
570.723
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
Diterpene lactones Diterpenoids Fatty alcohol esters Ketals Fatty acid esters Oxanes Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Acyloins Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Lactones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Milbemycin - Diterpenoid - Diterpene lactone - Fatty alcohol ester - Ketal - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Oxane - Beta-hydroxy ketone - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic 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