Compound Identification
SMILES
CC[C@H]1CCC2(CC3CC(C\C=C(C)\C[C@@H](C)\C=C\C=C4/COC5[C@H](O)C(COC6=CC(F)=C(C=C6)[N+]([O-])=O)=CC(C(=O)O3)[C@]45O)O2)O[C@@H]1C
InChIKey
InChIKey=OWHRQJFBBNTVKI-KGSMKRHASA-N
Formula
C38H48FNO10
Mass
697.797
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
Nitrophenyl ethers Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Ketals Oxanes Aryl fluorides Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organopnictogen compounds Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Nitrophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Ketal - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Tertiary alcohol - Oxolane - Organic nitro compound - Lactone - Carboxylic acid ester - Secondary alcohol - C-nitro compound - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Acetal - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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