1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:52 UTC FDB018909 alpha-Chaconine Alkaloid from Solanum chacoense and very many other Solanum subspecies (Solanaceae). alpha-Chaconine is found in potato. a-Chaconine alpha-Chaconine Chaconine C45H73NO14 852.0594 851.503106049 2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 20562-03-2 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 TYNQWWGVEGFKRU-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Steroidal saponins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds Acetals Alkaloids and derivatives Azacyclic compounds Azasteroids and derivatives Delta-5-steroids Diterpene glycosides Diterpenoids Hydrocarbon derivatives Indolizidines N-alkylpyrrolidines O-glycosyl compounds Oligosaccharides Organopnictogen compounds Oxacyclic compounds Oxanes Piperidines Polyols Primary alcohols Secondary alcohols Solanidines and derivatives Trialkylamines Acetal Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Azasteroid Delta-5-steroid Diterpene glycoside Diterpenoid Glycosyl compound Hydrocarbon derivative Indolizidine N-alkylpyrrolidine O-glycosyl compound Oligosaccharide Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Piperidine Polyol Primary alcohol Pyrrolidine Secondary alcohol Solanidane skeleton Steroidal alkaloid Steroidal saponin Terpene glycoside Tertiary aliphatic amine Tertiary amine logp 1.87 ALOGPS logs -3.47 ALOGPS solubility 2.90e-01 g/l ALOGPS melting_point Mp 243° logp 0.61 ChemAxon pka_strongest_acidic 12.22 ChemAxon pka_strongest_basic 11.78 ChemAxon iupac 2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 852.0594 ChemAxon mono_mass 851.503106049 ChemAxon smiles CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O ChemAxon formula C45H73NO14 ChemAxon inchi InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 ChemAxon inchikey TYNQWWGVEGFKRU-UHFFFAOYSA-N ChemAxon polar_surface_area 220.46 ChemAxon refractivity 215.01 ChemAxon polarizability 96.31 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7712 Specdb::MsMs 7713 Specdb::MsMs 7714 Specdb::MsMs 14384 Specdb::MsMs 14385 Specdb::MsMs 14386 Specdb::MsMs 2235799 Specdb::MsMs 2236143 Specdb::MsMs 2236836 Specdb::MsMs 2237221 Specdb::MsMs 2238241 Specdb::MsMs 2239351 Specdb::MsMs 2240025 Specdb::MsMs 2240240 Specdb::MsMs 2241456 Specdb::MsMs 2242357 Specdb::MsMs 2243525 Specdb::MsMs 2243772 Specdb::MsMs 2788360 Specdb::MsMs 2788361 Specdb::MsMs 2788362 Specdb::MsMs 2920124 Specdb::MsMs 2920125 Specdb::MsMs 2920126 HMDB39353 #<Reference:0x000055ce32522cf8> #<Reference:0x000055ce32522a78> #<Reference:0x000055ce32522898> Potato Type 1 specific Solanum tuberosum 4113 Anti cholinesterase 184 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). Anti feedant 275 Fungicide 940 A substance used to destroy fungal pests. Memranolytic 1099 Nematistat 1143 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Teratogenic 1347 A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.