1.0 2010-04-08 22:09:41 UTC 2019-11-26 03:05:02 UTC FDB011510 Diferuloylputrescine Alkaloid from Ananas comosus (pineapple), Vicia faba and Lycopersicon esculentum (tomato). Diferuloylputrescine is found in pulses, fruits, and garden tomato. Diferuloylputrescine N,N'-Bis(4-hydroxy-3-methoxycinnamoyl)-1,4-butanediamine Terrestribisamide Trans-n,n'-diferuloylputrescine C24H28N2O6 440.4889 440.194736638 (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]butyl}prop-2-enamide (E,E)-terrestribisamide 42369-86-8 COC1=CC(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+ CHEMZHJQHCVLFI-MKICQXMISA-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 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 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 logp 2.67 ALOGPS logs -4.97 ALOGPS solubility 4.73e-03 g/l ALOGPS logp 2.59 ChemAxon pka_strongest_acidic 9.59 ChemAxon pka_strongest_basic 1.82 ChemAxon iupac (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]butyl}prop-2-enamide ChemAxon average_mass 440.4889 ChemAxon mono_mass 440.194736638 ChemAxon smiles COC1=CC(\C=C\C(=O)NCCCCNC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O ChemAxon formula C24H28N2O6 ChemAxon inchi InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+ ChemAxon inchikey CHEMZHJQHCVLFI-MKICQXMISA-N ChemAxon polar_surface_area 117.12 ChemAxon refractivity 123.99 ChemAxon polarizability 48.87 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9900 Specdb::CMs 43312 Specdb::CMs 130961 Specdb::CMs 138695 Specdb::MsMs 102804 Specdb::MsMs 102805 Specdb::MsMs 102806 Specdb::MsMs 168687 Specdb::MsMs 168688 Specdb::MsMs 168689 Specdb::MsMs 2363366 Specdb::MsMs 2363367 Specdb::MsMs 2363368 Specdb::MsMs 2602991 Specdb::MsMs 2602992 Specdb::MsMs 2602993 HMDB33468 #<Reference:0x000055ce323e6790> Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Pulses Unknown generic