1.0 2010-04-08 22:04:43 UTC 2020-02-24 19:10:15 UTC FDB000816 Xanthoxylin obtained from Zanthoxylum piperitum (Japanese pepper tree) and Sapium sebiferum (Chinese tallowtree). Xanthoxylin is found in many foods, some of which are herbs and spices, german camomile, fats and oils, and pomegranate. 1-(2-Hydroxy-4,6-dimethoxyphenyl)-ethanone 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone 1-Acetyl-2-hydroxy-4,6-dimethoxybenzene 2-Hydroxy-4, 6-dimethoxyacetophenone 2-Hydroxy-4,6-dimethoxyacetophenone 2-Hydroxyl-4,6-dimethoxy-acetophenone 2,4-Di-O-methylphloroacetophenone 2'-Hydroxy-4',6'-dimethoxy-acetophenone 2'-Hydroxy-4',6'-dimethoxyacetophenone 2',4,-Dimethylpholoroacetophenone 4, 6-Dimethoxy-2-hydroxyacetophenone 4,6-Dimethoxy-2-hydroxyacetophenone 6-Methoxypaeonol Acetophenone der. Acetophenone, 2'-hydroxy-4',6'-dimethoxy- Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8ci) Brevifolin Brevifolin (zanthoxylum) Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)- Phloracetophenone dimethyl ether Phloroacetophenone 2,4-dimethyl ether Xanthoxylin Xanthoxyline C10H12O4 196.1999 196.073558872 1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one xanthoxylin 90-24-4 COC1=CC(O)=C(C(C)=O)C(OC)=C1 InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3 FBUBVLUPUDBFME-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetophenones Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzoyl derivatives Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Organic oxides Phenoxy compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetophenone Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Phenol Phenol ether Phenoxy compound Vinylogous acid carboxylic ester logp 1.69 ALOGPS logs -1.90 ALOGPS solubility 2.46e+00 g/l ALOGPS melting_point Mp 85-88° logp 1.56 ChemAxon pka_strongest_acidic 10.13 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one ChemAxon average_mass 196.1999 ChemAxon mono_mass 196.073558872 ChemAxon smiles COC1=CC(O)=C(C(C)=O)C(OC)=C1 ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3 ChemAxon inchikey FBUBVLUPUDBFME-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 51.37 ChemAxon polarizability 19.71 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 97161 Specdb::MsMs 97162 Specdb::MsMs 97163 Specdb::MsMs 161829 Specdb::MsMs 161830 Specdb::MsMs 161831 Specdb::MsMs 374900 Specdb::MsMs 451643 Specdb::MsMs 2244238 Specdb::MsMs 2245876 Specdb::MsMs 2248313 Specdb::MsMs 2250075 Specdb::MsMs 2250351 Specdb::MsMs 2252025 Specdb::MsMs 2323318 Specdb::MsMs 2323319 Specdb::MsMs 2323320 Specdb::MsMs 2614836 Specdb::MsMs 2614837 Specdb::MsMs 2614838 Specdb::NmrOneD 109838 Specdb::NmrOneD 109839 Specdb::NmrOneD 109840 Specdb::NmrOneD 109841 Specdb::NmrOneD 109842 Specdb::NmrOneD 109843 Specdb::NmrOneD 109844 Specdb::NmrOneD 109845 Specdb::NmrOneD 109846 Specdb::NmrOneD 109847 Specdb::NmrOneD 109848 Specdb::NmrOneD 109849 Specdb::NmrOneD 109850 Specdb::NmrOneD 109851 Specdb::NmrOneD 109852 Specdb::NmrOneD 109853 Specdb::NmrOneD 109854 Specdb::NmrOneD 109855 Specdb::NmrOneD 109856 Specdb::NmrOneD 109857 Specdb::MsIr 3530 Specdb::MsIr 3531 Specdb::MsIr 3532 Specdb::CMs 23647 Specdb::CMs 28271 Specdb::CMs 29749 Specdb::CMs 41488 Specdb::CMs 100378 Specdb::CMs 100379 Specdb::CMs 170365 HMDB29645 #<Reference:0x000055ce322385d8> Fats and oils Unknown generic German camomile Type 1 specific Matricaria recutita 127986 Herbs and Spices Unknown generic Pomegranate Type 1 specific Punica granatum 22663 Sweet orange Type 1 specific Citrus sinensis 2711 borneol camphor Anti feedant 275 Anti prostaglandin 550 A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. Anti-oxidant 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. Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Lipoxygenase inhibitor 1077 A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.