1.0 2010-04-08 22:15:04 UTC 2019-11-26 03:19:02 UTC FDB020507 Allixin Constituent 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-one 3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one, 9CI 4H-Pyran-4-one, 3-hydroxy-5-methoxy-6-methyl-2-pentyl- C12H18O4 226.2689 226.120509064 3-hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one allixin 125263-70-9 CCCCCC1=C(O)C(=O)C(OC)=C(C)O1 InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3 OHRPDNHRQKOLGN-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 derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Alkyl aryl ethers Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Alkyl aryl ether Aromatic heteromonocyclic compound Cyclic ketone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyranone logp 2.22 ALOGPS logs -2.22 ALOGPS solubility 1.37e+00 g/l ALOGPS melting_point Mp 80-81° logp 2.47 ChemAxon pka_strongest_acidic 9 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3-hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one ChemAxon average_mass 226.2689 ChemAxon mono_mass 226.120509064 ChemAxon smiles CCCCCC1=C(O)C(=O)C(OC)=C(C)O1 ChemAxon formula C12H18O4 ChemAxon inchi InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3 ChemAxon inchikey OHRPDNHRQKOLGN-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 64.59 ChemAxon polarizability 24.86 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 363676 Specdb::MsMs 363677 Specdb::MsMs 363678 Specdb::MsMs 2787121 Specdb::MsMs 2787122 Specdb::MsMs 2787123 Specdb::MsMs 317248 Specdb::MsMs 317249 Specdb::MsMs 317250 Specdb::MsMs 2918861 Specdb::MsMs 2918862 Specdb::MsMs 2918863 Specdb::CMs 23080 Specdb::CMs 46917 Specdb::CMs 136042 Specdb::CMs 143776 HMDB40705 #<Reference:0x00007f624c5ca610> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Welsh onion Type 1 specific Allium fistulosum 35875 anti cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. anti mutagenic 451 anti promoter 549 antioxidant 502 A 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. antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. chemopreventive 796 A substance that inhibits or prevents the proliferation of neoplasms.