1.0 2010-04-08 22:04:31 UTC 2019-11-26 02:54:37 UTC FDB000317 Homoveratric acid Homoveratric acid is the main metabolite of 3,4-dimethoxyphenylethylamine (DMPEA) in urine. It has been suggested that DMPEA and other amines are in higher concentrations in drug-free schizophrenics than in normal subjects. DMPEA is a the di-methylated metabolite of L-DOPA, the major treatment for Parkinson's disease (PD). (PMID 7059639, 14311254, 588645, 10834300). Homoveratric acid is found in olive. (3,4-Dimethoxyphenyl)acetate (3,4-Dimethoxyphenyl)acetic acid 3, 4-(Dimethoxyphenyl) acetic acid 3,4-(Dimethoxy)benzeneacetic acid 3,4-(Dimethoxyphenyl) acetic acid 3,4-Dimethoxybenzeneacetate 3,4-Dimethoxybenzeneacetic acid 3,4-dimethoxyphenyl Acetic Acid 3,4-Dimethoxyphenylacetate 3,4-Dimethoxyphenylacetic acid Acetic acid, (3, 4-dimethoxyphenyl)- Acetic acid, (3,4-dimethoxyphenyl)- Benzeneacetic acid, 3,4-dimethoxy- Homoveratrate C10H12O4 196.1999 196.073558872 2-(3,4-dimethoxyphenyl)acetic acid 3,4-dimethoxyphenylacetic acid 93-40-3 COC1=CC=C(CC(O)=O)C=C1OC InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) WUAXWQRULBZETB-UHFFFAOYSA-N belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Dimethoxybenzenes Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dimethoxybenzene Ether Hydrocarbon derivative Monocarboxylic acid or derivatives O-dimethoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound monocarboxylic acid Solid logp 1.58 ALOGPS logs -2.21 ALOGPS solubility 1.21e+00 g/l ALOGPS melting_point 96 oC logp 1.3 ChemAxon pka_strongest_acidic 3.86 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-(3,4-dimethoxyphenyl)acetic acid ChemAxon average_mass 196.1999 ChemAxon mono_mass 196.073558872 ChemAxon smiles COC1=CC=C(CC(O)=O)C=C1OC ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) ChemAxon inchikey WUAXWQRULBZETB-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 50.29 ChemAxon polarizability 19.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1368 Specdb::NmrTwoD 1312 Specdb::CMs 5851 Specdb::CMs 28713 Specdb::CMs 29675 Specdb::CMs 37533 Specdb::CMs 99568 Specdb::CMs 99569 Specdb::CMs 155961 Specdb::CMs 1062582 Specdb::MsIr 511 Specdb::MsIr 512 Specdb::MsIr 513 Specdb::MsMs 635 Specdb::MsMs 636 Specdb::MsMs 637 Specdb::MsMs 4057 Specdb::MsMs 240850 Specdb::MsMs 240851 Specdb::MsMs 240852 Specdb::MsMs 242905 Specdb::MsMs 242906 Specdb::MsMs 242907 Specdb::MsMs 2238005 Specdb::MsMs 2239550 Specdb::MsMs 2240177 Specdb::MsMs 2241549 Specdb::MsMs 2242262 Specdb::MsMs 2243586 Specdb::MsMs 2738875 Specdb::MsMs 2738876 Specdb::MsMs 2738877 Specdb::MsMs 2969949 Specdb::MsMs 2969950 Specdb::MsMs 2969951 HMDB00434 #<Reference:0x000055ce31c87788> #<Reference:0x000055ce31c875d0> #<Reference:0x000055ce31c87418> #<Reference:0x000055ce31c87260> 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 Olive Type 1 specific Olea europaea 4146 0.023348 0.046 0.000695667 mg/100 g 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