1.02010-04-08 22:15:04 UTC2019-11-26 03:19:02 UTCFDB020507AllixinConstituent of garlic (Allium sativum). Potential nutriceutical. Allixin is found in garlic, soft-necked garlic, and onion-family vegetables.3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one, 9CI4H-Pyran-4-one, 3-hydroxy-5-methoxy-6-methyl-2-pentyl-C12H18O4226.2689226.1205090643-hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-oneallixin125263-70-9CCCCCC1=C(O)C(=O)C(OC)=C(C)O1InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3OHRPDNHRQKOLGN-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone.Pyranones and derivativesOrganic compoundsOrganoheterocyclic compoundsPyransPyranones and derivativesAromatic heteromonocyclic compoundsAlkyl aryl ethersCyclic ketonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsAlkyl aryl etherAromatic heteromonocyclic compoundCyclic ketoneEtherHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclePyranonelogp2.22logs-2.22solubility1.37e+00 g/lmelting_pointMp 80-81°logp2.47pka_strongest_acidic9pka_strongest_basic-3.8iupac3-hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-oneaverage_mass226.2689mono_mass226.120509064smilesCCCCCC1=C(O)C(=O)C(OC)=C(C)O1formulaC12H18O4inchiInChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3inchikeyOHRPDNHRQKOLGN-UHFFFAOYSA-Npolar_surface_area55.76refractivity64.59polarizability24.86rotatable_bond_count5acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::CMs23080Specdb::CMs46917Specdb::CMs136042Specdb::CMs143776Specdb::MsMs363676Specdb::MsMs363677Specdb::MsMs363678Specdb::MsMs2787121Specdb::MsMs2787122Specdb::MsMs2787123Specdb::MsMs317248Specdb::MsMs317249Specdb::MsMs317250Specdb::MsMs2918861Specdb::MsMs2918862Specdb::MsMs2918863HMDB40705#<Reference:0x0000555675c84080>Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679GarlicType 1specificAllium sativum4682Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Soft-necked garlicType 1specificAllium sativum L. var. sativum4682Welsh onionType 1specificAllium fistulosum35875anti cancer159A substance that inhibits or prevents the proliferation of neoplasms.anti mutagenic451anti promoter549antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.antitumor672A substance that inhibits or prevents the proliferation of neoplasms.chemopreventive796A substance that inhibits or prevents the proliferation of neoplasms.