Compound Identification
SMILES
CCC(C)[C@H]1OC2(CC[C@@H]1C)CC1CC(C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([C@H](C)O4)N(C)CC4=C(F)C=CC(F)=C4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/COC4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIKey
InChIKey=ZFSIEZKWUPYJAT-ZZLKQEOESA-N
Formula
C56H81F2NO13
Mass
1014.255
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
Aminoglycosides O-glycosyl compounds Benzylamines Phenylmethylamines Fluorobenzenes Ketals Aralkylamines Aryl fluorides Monosaccharides Oxanes Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Aminoglycoside core - O-glycosyl compound - Glycosyl compound - Phenylmethylamine - Benzylamine - Ketal - Fluorobenzene - Aralkylamine - Halobenzene - Amino saccharide - Aryl fluoride - Oxane - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Aryl halide - Oxolane - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Lactone - Tertiary amine - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Acetal - Alcohol - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen 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