1.0 2010-04-08 22:09:41 UTC 2019-11-26 03:05:01 UTC FDB011508 Di-4-coumaroylputrescine Alkaloid from Helianthus annuus (sunflower), Pyrus communis (pear), Rubus idaeus (raspberry) and Vicia faba. Di-4-coumaroylputrescine is found in many foods, some of which are pomes, fruits, red raspberry, and pulses. N,N'-1,4-Butanediylbis[3-(4-hydroxyphenyl)-2-propenamide], 9CI N,N'-Bis(4-hydroxycinnamoyl)-1,4-butanediamine C22H24N2O4 380.437 380.173607266 (2E)-3-(4-hydroxyphenyl)-N-{4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}prop-2-enamide (2E)-3-(4-hydroxyphenyl)-N-{4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}prop-2-enamide 37946-59-1 OC1=CC=C(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1 InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+ PYVBFDCHJDMSMM-FNCQTZNRSA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Carbonyl compounds Cinnamic acid amides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Coumaric acid or derivatives Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Secondary carboxylic acid amide Styrene logp 2.74 ALOGPS logs -4.96 ALOGPS solubility 4.17e-03 g/l ALOGPS logp 2.9 ChemAxon pka_strongest_acidic 9.12 ChemAxon pka_strongest_basic 1.82 ChemAxon iupac (2E)-3-(4-hydroxyphenyl)-N-{4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}prop-2-enamide ChemAxon average_mass 380.437 ChemAxon mono_mass 380.173607266 ChemAxon smiles OC1=CC=C(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC=C(O)C=C2)C=C1 ChemAxon formula C22H24N2O4 ChemAxon inchi InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+ ChemAxon inchikey PYVBFDCHJDMSMM-FNCQTZNRSA-N ChemAxon polar_surface_area 98.66 ChemAxon refractivity 111.06 ChemAxon polarizability 42.98 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11716 Specdb::CMs 43310 Specdb::CMs 131446 Specdb::CMs 139180 Specdb::MsMs 68292 Specdb::MsMs 68293 Specdb::MsMs 68294 Specdb::MsMs 126285 Specdb::MsMs 126286 Specdb::MsMs 126287 Specdb::MsMs 2737325 Specdb::MsMs 2737326 Specdb::MsMs 2737327 Specdb::MsMs 2968437 Specdb::MsMs 2968438 Specdb::MsMs 2968439 HMDB33466 #<Reference:0x000055ce3022f7f0> Fats and oils Unknown generic Fruits Unknown generic Pomes Unknown generic Pulses Unknown generic Red raspberry Type 1 specific Rubus idaeus 32247