1.0 2011-09-21 01:45:30 UTC 2015-07-21 06:59:32 UTC FDB028818 4-Methoxytyramine 4-Methoxytyramine is a catecholamine derivative. Catecholamines are important components of the central nervous system. A number of diseases are characterized by abnormal levels of catecholamines. For example, patients with Parkinson's disease have lower levels of dopamine than normal. L-3,4-Dihydroxyphennylalanune (L-Dopa), a catechol a-amino acid, is widely used in the treatment of Parkinson's disease. When L-Dopa is given orally to patients, the most prominent metabolite is 3-methoxy-4-hydroxyphenylalanine. However, a part of L-Dopa is methylated to 3-hydroxy-4-methylphenylalanine and to 3-hydroxy-4-methoxyphenethylamine. It has been reported that 4-O-methylation of catecholamines is implicated in some neuropsychiatric disorders and thus 3-hydroxy-4-methoxyphenethylamine appears to be the endogenous "toxin" in Parkinson's disease. Consequently, the determination of plasma levels of 3-hydroxy-4-methoxyphenethylamine is important following oral L-Dopa therapy (PMID: 6518609). [HMDB] 3-hydroxy-4-methoxy-Benzeneethanamine 3-Hydroxy-4-methoxyphenethylamine 4-(2-Aminoethyl)guaiacol hydrochloride 4-Methoxy-3-hydroxyphenethylamine hydrochloride 4-O-methyldopamine 5-(2-aminoethyl)-2-methoxyphenol 5-hydroxy-4-methoxy-Benzeneethanamine Lopac-H-3132 C9H13NO2 167.205 167.094628665 5-(2-aminoethyl)-2-methoxyphenol 5-(2-aminoethyl)-2-methoxyphenol 3213-30-7 COC1=C(O)C=C(CCN)C=C1 InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3 WJXQFVMTIGJBFX-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-arylethylamines Alkyl aryl ethers Anisoles Aralkylamines Hydrocarbon derivatives Methoxybenzenes Monoalkylamines Organopnictogen compounds Phenethylamines Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylethylamine Alkyl aryl ether Amine Anisole Aralkylamine Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Phenol ether Phenoxy compound Primary aliphatic amine Primary amine Solid logp -0.06 ALOGPS logs -1.47 ALOGPS solubility 5.68e+00 g/l ALOGPS logp 0.45 ChemAxon pka_strongest_acidic 10.24 ChemAxon pka_strongest_basic 9.58 ChemAxon iupac 5-(2-aminoethyl)-2-methoxyphenol ChemAxon average_mass 167.205 ChemAxon mono_mass 167.094628665 ChemAxon smiles COC1=C(O)C=C(CCN)C=C1 ChemAxon formula C9H13NO2 ChemAxon inchi InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3 ChemAxon inchikey WJXQFVMTIGJBFX-UHFFFAOYSA-N ChemAxon polar_surface_area 55.48 ChemAxon refractivity 47.73 ChemAxon polarizability 18.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2679 Specdb::MsIr 2680 Specdb::MsIr 2681 Specdb::CMs 19455 Specdb::CMs 39842 Specdb::CMs 173312 Specdb::MsMs 309250 Specdb::MsMs 309251 Specdb::MsMs 309252 Specdb::MsMs 353635 Specdb::MsMs 353636 Specdb::MsMs 353637 Specdb::MsMs 2290410 Specdb::MsMs 2290411 Specdb::MsMs 2290412 Specdb::MsMs 2644398 Specdb::MsMs 2644399 Specdb::MsMs 2644400 Specdb::NmrOneD 95598 Specdb::NmrOneD 95599 Specdb::NmrOneD 95600 Specdb::NmrOneD 95601 Specdb::NmrOneD 95602 Specdb::NmrOneD 95603 Specdb::NmrOneD 95604 Specdb::NmrOneD 95605 Specdb::NmrOneD 95606 Specdb::NmrOneD 95607 Specdb::NmrOneD 95608 Specdb::NmrOneD 95609 Specdb::NmrOneD 95610 Specdb::NmrOneD 95611 Specdb::NmrOneD 95612 Specdb::NmrOneD 95613 Specdb::NmrOneD 95614 Specdb::NmrOneD 95615 Specdb::NmrOneD 95616 Specdb::NmrOneD 95617 HMDB12162 #<Reference:0x00005612722da458> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823