Compound Identification
SMILES
CC(C)C1OC2(CCC1C)CC1CC(C\C=C(C)\C(SC3=CC=CC=C3)C(C)\C=C\C=C3/COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
InChIKey
InChIKey=LWPKGPXMJKMZKJ-DPCRTXALSA-N
Formula
C39H52O7S
Mass
664.9
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
Thiophenol ethers Alkylarylthioethers Ketals Oxanes Benzene and substituted derivatives Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Lactones Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Aryl thioether - Thiophenol ether - Ketal - Alkylarylthioether - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Thioether - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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