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Comfortis , Nicotinic acetylcholine receptor agonist, CAS No.145946918, Nicotinic acetylcholine receptor agonist
Molecular Weight: 1477.9
PubChem CID:
145946918
Basic Description
Synonyms
Comfortis | Natrova | LY-232105 | CHEMBL4297065 | PP-105 | Spinosyns spinosad | Extinosad | DE-105 | NaturaLyte | Spintor | Blackhawk | Spinosad (ema epar: veterinary)
Action Type
AGONIST
Mechanism of action
Nicotinic acetylcholine receptor agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Aminosaccharides
Direct Parent
Aminoglycosides
Alternative Parents
Terpene glycosides Terpene lactones Fatty acyl glycosides of mono- and disaccharides Sesquiterpenoids Macrolides and analogues Alkyl glycosides O-glycosyl compounds Fatty acid esters Oxanes Monosaccharides Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Trialkylamines Lactones Ketones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Aminoglycoside core - Terpene glycoside - Terpene lactone - Sesquiterpenoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Macrolide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Oxane - Monosaccharide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Tertiary aliphatic amine - Tertiary amine - Lactone - Ketone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione;(2R,5S,7R,9R,10S,14
INCHI
InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22
InChIKey
JFLRKDZMHNBDQS-UCQUSYKYSA-N
Smiles
CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C.CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C
Isomeric SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C.CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3C2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
PubChem CID
145946918
Molecular Weight
1477.9
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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