1.0 2010-04-08 22:15:07 UTC 2025-11-19 02:32:43 UTC FDB020574 22-Isopimpifolidine Alkaloid from roots of Lycopersicon pimpinellifolium (currant tomato). 22-Isopimpifolidine is found in garden tomato. 22-Isopimpifolidine C27H45NO3 431.6511 431.339944311 10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol 10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol 138665-46-0 CC1CNC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)OC2(O)C1 InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3 ZHFCFFSSVSIEIR-UHFFFAOYSA-N belongs to the class of organic compounds known as solanocapsine-type alkaloids. These are steroidal alkaloids with a structure that is characterized by a docosahydronaphth[2,1:4',5']indene ring system fused to a pyrano[3,2-b]pyridine moiety. Solanocapsine-type alkaloids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Aliphatic heteropolycyclic compounds 3-hydroxysteroids Alkaloids and derivatives Azacyclic compounds Azasteroids and derivatives Cyclic alcohols and derivatives Dialkylamines Hemiacetals Hydrocarbon derivatives Organopnictogen compounds Oxacyclic compounds Oxanes Piperidines Secondary alcohols 23-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Azasteroid Cyclic alcohol Hemiacetal Hydrocarbon derivative Hydroxysteroid Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Piperidine Secondary alcohol Secondary aliphatic amine Secondary amine Solanocapsine skeleton logp 3.60 ALOGPS logs -4.92 ALOGPS solubility 5.17e-03 g/l ALOGPS melting_point Mp 200-204° logp 4.05 ChemAxon pka_strongest_acidic 11.56 ChemAxon pka_strongest_basic 9.44 ChemAxon iupac 10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosane-7,22-diol ChemAxon average_mass 431.6511 ChemAxon mono_mass 431.339944311 ChemAxon smiles CC1CNC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)OC2(O)C1 ChemAxon formula C27H45NO3 ChemAxon inchi InChI=1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3 ChemAxon inchikey ZHFCFFSSVSIEIR-UHFFFAOYSA-N ChemAxon polar_surface_area 61.72 ChemAxon refractivity 122.4 ChemAxon polarizability 52.5 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24047 Specdb::CMs 46092 Specdb::CMs 137061 Specdb::CMs 144795 Specdb::MsMs 7328 Specdb::MsMs 7329 Specdb::MsMs 7330 Specdb::MsMs 14000 Specdb::MsMs 14001 Specdb::MsMs 14002 Specdb::MsMs 2330403 Specdb::MsMs 2330404 Specdb::MsMs 2330405 Specdb::MsMs 2635606 Specdb::MsMs 2635607 Specdb::MsMs 2635608 HMDB38836 #<Reference:0x000055ce2d04d7c8> Garden tomato Type 1 specific Solanum lycopersicum 4081