1.0 2010-04-08 22:05:33 UTC 2025-11-18 22:41:24 UTC FDB002874 2,3-Secoporrigenin Constituent of Allium porrum (leek). 2,3-Secoporrigenin is found in onion-family vegetables. 2,3-Secoporrigenin C27H40O6 460.6029 460.282489012 2-{5,7',9',13'-tetramethyl-16'-oxo-5',17'-dioxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹⁴,¹⁸]nonadecane]-13'-yl}acetic acid 5,7',9',13'-tetramethyl-16'-oxo-5',17'-dioxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹⁴,¹⁸]nonadecane]-13'-ylacetic acid 189014-46-8 CC1C2C(CC3C4CC5OC(=O)CC5C(C)(CC(O)=O)C4CCC23C)OC11CCC(C)CO1 InChI=1S/C27H40O6/c1-14-5-8-27(31-13-14)15(2)24-21(33-27)10-18-16-9-20-19(11-23(30)32-20)26(4,12-22(28)29)17(16)6-7-25(18,24)3/h14-21,24H,5-13H2,1-4H3,(H,28,29) OTCSBULKTTUVHL-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Gamma butyrolactones Hydrocarbon derivatives Ketals Organic oxides Oxacyclic compounds Oxanes Tetrahydrofurans Acetal Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Ketal Lactone Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Tetrahydrofuran logp 3.47 ALOGPS logs -5.32 ALOGPS solubility 2.22e-03 g/l ALOGPS logp 3.9 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-{5,7',9',13'-tetramethyl-16'-oxo-5',17'-dioxaspiro[oxane-2,6'-pentacyclo[10.7.0.0²,⁹.0⁴,⁸.0¹⁴,¹⁸]nonadecane]-13'-yl}acetic acid ChemAxon average_mass 460.6029 ChemAxon mono_mass 460.282489012 ChemAxon smiles CC1C2C(CC3C4CC5OC(=O)CC5C(C)(CC(O)=O)C4CCC23C)OC11CCC(C)CO1 ChemAxon formula C27H40O6 ChemAxon inchi InChI=1S/C27H40O6/c1-14-5-8-27(31-13-14)15(2)24-21(33-27)10-18-16-9-20-19(11-23(30)32-20)26(4,12-22(28)29)17(16)6-7-25(18,24)3/h14-21,24H,5-13H2,1-4H3,(H,28,29) ChemAxon inchikey OTCSBULKTTUVHL-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 120.98 ChemAxon polarizability 51.97 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19249 Specdb::CMs 42246 Specdb::CMs 163288 Specdb::MsMs 107994 Specdb::MsMs 107995 Specdb::MsMs 107996 Specdb::MsMs 175104 Specdb::MsMs 175105 Specdb::MsMs 175106 Specdb::MsMs 2827698 Specdb::MsMs 2827699 Specdb::MsMs 2827700 Specdb::MsMs 2851942 Specdb::MsMs 2851943 Specdb::MsMs 2851944 HMDB0030909 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