1.0 2010-04-08 22:09:40 UTC 2019-11-26 03:05:01 UTC FDB011502 4-Hydroxycinnamoylagmatine Isolated from barley seedlings. 4-Hydroxycinnamoylagmatine is found in cereals and cereal products. 4-Hydroxycinnamoylagmatine cis-p-Coumaroylagmatine N-(4-Guanidinobutyl)-4-hydroxycinnamamide N-(4-Guanidinobutyl)-4-hydroxycinnamide N1-trans-p-Coumaroylagmatine C14H20N4O2 276.3342 276.158625904 (2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxyphenyl)prop-2-enamide (2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxyphenyl)prop-2-enamide 7295-86-5 NC(=N)NCCCCNC(=O)\C=C\C1=CC=C(O)C=C1 InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+ AKIHYQWCLCDMMI-VMPITWQZSA-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 Carboximidamides Cinnamic acid amides Guanidines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid derivative Cinnamic acid amide Coumaric acid or derivatives Guanidine Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Styrene p-coumaroylagmatine logp 0.93 ALOGPS logs -3.13 ALOGPS solubility 2.07e-01 g/l ALOGPS melting_point Mp 215-217° (as picrate) logp 0.31 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic 12.22 ChemAxon iupac (2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxyphenyl)prop-2-enamide ChemAxon average_mass 276.3342 ChemAxon mono_mass 276.158625904 ChemAxon smiles NC(=N)NCCCCNC(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon formula C14H20N4O2 ChemAxon inchi InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+ ChemAxon inchikey AKIHYQWCLCDMMI-VMPITWQZSA-N ChemAxon polar_surface_area 111.23 ChemAxon refractivity 89.93 ChemAxon polarizability 30.94 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23528 Specdb::CMs 43304 Specdb::CMs 168801 Specdb::MsMs 53067 Specdb::MsMs 53068 Specdb::MsMs 53069 Specdb::MsMs 158460 Specdb::MsMs 158461 Specdb::MsMs 158462 Specdb::MsMs 2465388 Specdb::MsMs 2465389 Specdb::MsMs 2465390 Specdb::MsMs 2496665 Specdb::MsMs 2496666 Specdb::MsMs 2496667 HMDB33460 #<Reference:0x000055ce322b9098> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic