1.0 2016-06-03 11:00:18 UTC 2026-05-14 18:59:52 UTC Spinosad SmallMolecule Spinosad is an organic compound with the chemical formula C42H71NO9. Spinosad belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 734.03 g/mol, Spinosad is a heavy molecule. This compound is found in or released from three recorded sources, including floors in building and construction, drinking water in drinking water and water supply, and pesticides in agriculture and land management. Recorded exposure routes for the substance include oral and inhalation. In terms of biological activity, Spinosad has one recorded protein target, acting as an antagonist of the neuronal acetylcholine receptor subunit alpha-7 (CHRNA7). Pesticide C42H71NO9 734.028 733.51288287 13-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-2-[(2,3,4-trimethoxy-5-methylcyclohexyl)oxy]-icosahydro-1H-as-indaceno[3,2-d]oxacyclododecane-7,15-dione 13-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-2-[(2,3,4-trimethoxy-5-methylcyclohexyl)oxy]-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecane-7,15-dione 168316-95-8 CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C2CC3C4CC(CC4CCC3C2CC(=O)O1)OC1CC(C)C(OC)C(OC)C1OC InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3 RQOIAWYOVOXMST-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aminocyclitol glycosides Acetals Amino acids and derivatives Carboxylic acid esters Cyclitols and derivatives Dialkyl ethers Hydrocarbon derivatives Ketones Lactones Macrolides and analogues Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Trialkylamines Acetal Aliphatic heteropolycyclic compound Amine Amino acid or derivatives Amino cyclitol glycoside Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclitol or derivatives Dialkyl ether Ether Hydrocarbon derivative Ketone Lactone Macrolide Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Tertiary aliphatic amine Tertiary amine Aliphatic heteropolycyclic compounds Detected and Not Quantified Spinosad Drug Metabolism Action Pathway SMP0144178 logp 5.84 logp 4.65 ALOGPS logs -5.98 ALOGPS solubility 7.72e-04 g/l ALOGPS logp 6.42 ChemAxon pka_strongest_acidic 19.21 ChemAxon pka_strongest_basic 8.56 ChemAxon iupac 13-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-2-[(2,3,4-trimethoxy-5-methylcyclohexyl)oxy]-icosahydro-1H-as-indaceno[3,2-d]oxacyclododecane-7,15-dione ChemAxon average_mass 734.028 ChemAxon mono_mass 733.51288287 ChemAxon smiles CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C2CC3C4CC(CC4CCC3C2CC(=O)O1)OC1CC(C)C(OC)C(OC)C1OC ChemAxon formula C42H71NO9 ChemAxon inchi InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3 ChemAxon inchikey RQOIAWYOVOXMST-UHFFFAOYSA-N ChemAxon polar_surface_area 101.99 ChemAxon refractivity 199.04 ChemAxon polarizability 86.38 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226aa8670> DB08823 91782 82879 BE0002341