1.0 2016-06-03 11:30:01 UTC 2026-04-15 16:46:26 UTC Azadirachtin SmallMolecule Azadirachtin is a compound with the chemical formula C35H44O16. Azadirachtin belongs to the triterpenoids, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 720.72 g/mol, Azadirachtin is a heavy molecule. In industrial applications, it is used as an insecticide (PMC13471739). The compound has been recorded in three sources, including drinking water and water supply, floors within building and construction, and auxiliary devices in electrical and electronic equipment. The recorded route of exposure for this substance is oral. C35H44O16 720.721 720.262935337 4,11-dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-(acetyloxy)-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0^{2,6}.0^{9,11}]dodec-3-en-9-yl]-6-methyl-14-{[(2E)-2-methylbut-2-enoyl]oxy}-3,9-dioxatetracyclo[6.6.1.0^{1,5}.0^{11,15}]pentadecane-4,11-dicarboxylate 4,11-dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-(acetyloxy)-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0^{2,6}.0^{9,11}]dodec-3-en-9-yl]-6-methyl-14-{[(2E)-2-methylbut-2-enoyl]oxy}-3,9-dioxatetracyclo[6.6.1.0^{1,5}.0^{11,15}]pentadecane-4,11-dicarboxylate 11141-17-6 [H]\C(C)=C(\C)C(=O)O[C@@]1([H])C[C@@]([H])(OC(C)=O)[C@]2(CO[C@]3([H])[C@]2([H])[C@]11CO[C@](O)(C(=O)OC)[C@@]1([H])[C@@](C)([C@]3([H])O)[C@]12O[C@@]1(C)[C@@]1([H])C[C@]2([H])O[C@]2([H])OC=C[C@]12O)C(=O)OC InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1 FTNJWQUOZFUQQJ-NDAWSKJSSA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Limonoids Acetals Carbonyl compounds Cyclic alcohols and derivatives Dialkyl ethers Dihydrofurans Enoate esters Epoxides Fatty acid esters Furans Furopyrans Hemiacetals Hydrocarbon derivatives Methyl esters Organic oxides Oxacyclic compounds Oxanes Oxepanes Pyrans Secondary alcohols Tertiary alcohols Tetracarboxylic acids and derivatives Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dihydrofuran Enoate ester Ether Fatty acid ester Fatty acyl Furan Furopyran Hemiacetal Hydrocarbon derivative Limonoid skeleton Methyl ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Pyran Secondary alcohol Tertiary alcohol Tetracarboxylic acid or derivatives Tetrahydrofuran Aliphatic heteropolycyclic compounds Apotirucallane triterpenoids Apotirucallane triterpenoids acetate ester azadirachtin cyclic hemiketal enoate ester epoxide methyl ester organic heterotetracyclic compound secondary alcohol tertiary alcohol Detected and Not Quantified logp 1.53 ALOGPS logs -2.87 ALOGPS solubility 9.80e-01 g/l ALOGPS logp -0.13 ChemAxon pka_strongest_acidic 9.43 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 4,11-dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-(acetyloxy)-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0^{2,6}.0^{9,11}]dodec-3-en-9-yl]-6-methyl-14-{[(2E)-2-methylbut-2-enoyl]oxy}-3,9-dioxatetracyclo[6.6.1.0^{1,5}.0^{11,15}]pentadecane-4,11-dicarboxylate ChemAxon average_mass 720.721 ChemAxon mono_mass 720.262935337 ChemAxon smiles [H]\C(C)=C(\C)C(=O)O[C@@]1([H])C[C@@]([H])(OC(C)=O)[C@]2(CO[C@]3([H])[C@]2([H])[C@]11CO[C@](O)(C(=O)OC)[C@@]1([H])[C@@](C)([C@]3([H])O)[C@]12O[C@@]1(C)[C@@]1([H])C[C@]2([H])O[C@]2([H])OC=C[C@]12O)C(=O)OC ChemAxon formula C35H44O16 ChemAxon inchi InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1 ChemAxon inchikey FTNJWQUOZFUQQJ-NDAWSKJSSA-N ChemAxon polar_surface_area 215.34 ChemAxon refractivity 166.24 ChemAxon polarizability 70.35 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225dad2b8> DB19419 5281303 4444685