1.0 2010-04-08 22:14:20 UTC 2019-11-26 03:17:27 UTC FDB019403 N-trans-Feruloyl-4-O-methyldopamine Alkaloid from roots of the pseudocereal Chenopodium album (lambsquarters). N-trans-Feruloyl-4-O-methyldopamine is found in cereals and cereal products. N-trans-Feruloyl-4-O-methyldopamine C19H21NO5 343.3737 343.141972787 (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide 78510-20-0 COC1=CC(\C=C\C(=O)NCCC2=CC(O)=C(OC)C=C2)=CC=C1O InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+ ACSWAJLDOHJFNA-VMPITWQZSA-N belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Hydroxycinnamic acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid amides Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Secondary carboxylic acid amide Styrene cinnamamides monomethoxybenzene phenols logp 2.38 ALOGPS logs -4.20 ALOGPS solubility 2.16e-02 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 9.59 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide ChemAxon average_mass 343.3737 ChemAxon mono_mass 343.141972787 ChemAxon smiles COC1=CC(\C=C\C(=O)NCCC2=CC(O)=C(OC)C=C2)=CC=C1O ChemAxon formula C19H21NO5 ChemAxon inchi InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+ ChemAxon inchikey ACSWAJLDOHJFNA-VMPITWQZSA-N ChemAxon polar_surface_area 88.02 ChemAxon refractivity 96.03 ChemAxon polarizability 37.14 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9376 Specdb::CMs 46561 Specdb::CMs 164142 Specdb::MsMs 82758 Specdb::MsMs 82759 Specdb::MsMs 82760 Specdb::MsMs 144213 Specdb::MsMs 144214 Specdb::MsMs 144215 Specdb::MsMs 2826433 Specdb::MsMs 2826434 Specdb::MsMs 2826435 Specdb::MsMs 2855761 Specdb::MsMs 2855762 Specdb::MsMs 2855763 HMDB39755 #<Reference:0x000055ce32d54728> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic