1.0 2010-04-08 22:09:41 UTC 2019-11-26 03:05:01 UTC FDB011507 Feruloyl-2-hydroxyputrescine Alkaloid from Triticum aestivum (wheat). Feruloyl-2-hydroxyputrescine is found in wheat and cereals and cereal products. Feruloyl-2-hydroxyputrescine C14H20N2O4 280.3196 280.142307138 (2E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (2E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide COC1=CC(\C=C\C(=O)NCC(O)CCN)=CC=C1O InChI=1S/C14H20N2O4/c1-20-13-8-10(2-4-12(13)18)3-5-14(19)16-9-11(17)6-7-15/h2-5,8,11,17-18H,6-7,9,15H2,1H3,(H,16,19)/b5-3+ MHXWDKFRPOVGGG-HWKANZROSA-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 1,3-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Amino acids and derivatives Anisoles Carbonyl compounds Cinnamic acid amides Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monoalkylamines Organic oxides Organopnictogen compounds Phenoxy compounds Secondary alcohols Secondary carboxylic acid amides Styrenes 1,3-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Amine Amino acid or derivatives 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 Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Styrene logp -0.26 ALOGPS logs -2.68 ALOGPS solubility 5.85e-01 g/l ALOGPS logp -0.74 ChemAxon pka_strongest_acidic 10.05 ChemAxon pka_strongest_basic 9.37 ChemAxon iupac (2E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide ChemAxon average_mass 280.3196 ChemAxon mono_mass 280.142307138 ChemAxon smiles COC1=CC(\C=C\C(=O)NCC(O)CCN)=CC=C1O ChemAxon formula C14H20N2O4 ChemAxon inchi InChI=1S/C14H20N2O4/c1-20-13-8-10(2-4-12(13)18)3-5-14(19)16-9-11(17)6-7-15/h2-5,8,11,17-18H,6-7,9,15H2,1H3,(H,16,19)/b5-3+ ChemAxon inchikey MHXWDKFRPOVGGG-HWKANZROSA-N ChemAxon polar_surface_area 104.81 ChemAxon refractivity 77 ChemAxon polarizability 30.44 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10804 Specdb::CMs 43309 Specdb::CMs 167236 Specdb::MsMs 76338 Specdb::MsMs 76339 Specdb::MsMs 76340 Specdb::MsMs 136146 Specdb::MsMs 136147 Specdb::MsMs 136148 Specdb::MsMs 2289330 Specdb::MsMs 2289331 Specdb::MsMs 2289332 Specdb::MsMs 2650196 Specdb::MsMs 2650197 Specdb::MsMs 2650198 Specdb::NmrOneD 120078 Specdb::NmrOneD 120079 Specdb::NmrOneD 120080 Specdb::NmrOneD 120081 Specdb::NmrOneD 120082 Specdb::NmrOneD 120083 Specdb::NmrOneD 120084 Specdb::NmrOneD 120085 Specdb::NmrOneD 120086 Specdb::NmrOneD 120087 Specdb::NmrOneD 120088 Specdb::NmrOneD 120089 Specdb::NmrOneD 120090 Specdb::NmrOneD 120091 Specdb::NmrOneD 120092 Specdb::NmrOneD 120093 Specdb::NmrOneD 120094 Specdb::NmrOneD 120095 Specdb::NmrOneD 120096 Specdb::NmrOneD 120097 HMDB33465 #<Reference:0x000055ce3210c740> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Wheat Type 1 specific Triticum 4564