1.0 2010-04-08 22:05:39 UTC 2025-11-18 22:47:26 UTC FDB003083 12-Ketoporrigenin Constituent of Allium porrum (leek). 12-Ketoporrigenin is found in onion-family vegetables. 12-Ketoporrigenin C27H42O5 446.6194 446.303224454 16',19'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one 16',19'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one 189014-45-7 CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(C)CO1 InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3 AEDBOXCTQDATMF-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 3-hydroxysteroids 6-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketals Ketones Organic oxides Oxacyclic compounds Oxanes Oxosteroids Secondary alcohols Spirostanes and derivatives Tetrahydrofurans 12-oxosteroid 3-hydroxysteroid 6-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Ketal Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Secondary alcohol Spirostane skeleton Steroid Tetrahydrofuran Triterpenoid logp 2.23 ALOGPS logs -4.88 ALOGPS solubility 5.93e-03 g/l ALOGPS logp 3.36 ChemAxon pka_strongest_acidic 14.75 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 16',19'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one ChemAxon average_mass 446.6194 ChemAxon mono_mass 446.303224454 ChemAxon smiles CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(C)CO1 ChemAxon formula C27H42O5 ChemAxon inchi InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3 ChemAxon inchikey AEDBOXCTQDATMF-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 121.7 ChemAxon polarizability 51.17 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13030 Specdb::CMs 42347 Specdb::CMs 148599 Specdb::MsMs 104817 Specdb::MsMs 104818 Specdb::MsMs 104819 Specdb::MsMs 171168 Specdb::MsMs 171169 Specdb::MsMs 171170 Specdb::MsMs 2321746 Specdb::MsMs 2321747 Specdb::MsMs 2321748 Specdb::MsMs 2613382 Specdb::MsMs 2613383 Specdb::MsMs 2613384 HMDB0031079 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875