Compound Identification
SMILES
CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@H](OC(=O)C3(CCCC3)C3=CC=C(N)C=C3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIKey
InChIKey=BVASIYSOHJWHCW-HEMKEDAYSA-N
Formula
C44H59NO9
Mass
745.954
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
Aniline and substituted anilines Ketals Primary aromatic amines Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Oxolanes Amino acids and derivatives Secondary alcohols Carboxylic acid esters Lactones Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Aniline or substituted anilines - Ketal - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxane - Primary aromatic amine - Benzenoid - Tertiary alcohol - Oxolane - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Organopnictogen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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