1.0 2010-04-08 22:04:50 UTC 2020-02-24 19:10:19 UTC FDB001105 Paucine Alkaloid from the famine food Pentaclethra macrophylla and from Persea gratissima (avocado). Paucine is found in avocado and fruits. (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamide (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide Caffeoylputrescine Cinnamamide, N-(4-aminobutyl)-3,4-dihydroxy-, (E)- N-(3,4-Dihydroxycinnamoyl)-1,4-butanediamine N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)-2-propanamide, 9CI N-(4-Aminobutyl)-3,4-dihydroxy-(e)-cinnamamide N-Caffeoylputrescine C13H18N2O3 250.2936 250.131742452 (Z,2Z)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propa-2-enimidic acid (Z,2Z)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propa-2-enimidic acid 29554-26-5 NCCCC\N=C(/O)\C=C/C1=CC(O)=C(O)C=C1 InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4- KTZNZCYTXQYEHT-XQRVVYSFSA-N belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Catechols Organic compounds Benzenoids Phenols Benzenediols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carboximidic acids Hydrocarbon derivatives Monoalkylamines Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aromatic homomonocyclic compound Carboximidic acid Carboximidic acid derivative Catechol Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Styrene logp 0.63 ALOGPS logs -3.16 ALOGPS solubility 1.75e-01 g/l ALOGPS logp -0.55 ChemAxon pka_strongest_acidic 7.75 ChemAxon pka_strongest_basic 12.69 ChemAxon iupac (Z,2Z)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propa-2-enimidic acid ChemAxon average_mass 250.2936 ChemAxon mono_mass 250.131742452 ChemAxon smiles NCCCC\N=C(/O)\C=C/C1=CC(O)=C(O)C=C1 ChemAxon formula C13H18N2O3 ChemAxon inchi InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4- ChemAxon inchikey KTZNZCYTXQYEHT-XQRVVYSFSA-N ChemAxon polar_surface_area 99.07 ChemAxon refractivity 71.72 ChemAxon polarizability 27.8 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87168 Specdb::MsMs 87169 Specdb::MsMs 87170 Specdb::MsMs 149616 Specdb::MsMs 149617 Specdb::MsMs 149618 Specdb::MsMs 2443234 Specdb::MsMs 2443235 Specdb::MsMs 2443236 Specdb::MsMs 2519876 Specdb::MsMs 2519877 Specdb::MsMs 2519878 Specdb::CMs 13564 Specdb::CMs 41605 Specdb::CMs 154645 Specdb::NmrOneD 110258 Specdb::NmrOneD 110259 Specdb::NmrOneD 110260 Specdb::NmrOneD 110261 Specdb::NmrOneD 110262 Specdb::NmrOneD 110263 Specdb::NmrOneD 110264 Specdb::NmrOneD 110265 Specdb::NmrOneD 110266 Specdb::NmrOneD 110267 Specdb::NmrOneD 110268 Specdb::NmrOneD 110269 Specdb::NmrOneD 110270 Specdb::NmrOneD 110271 Specdb::NmrOneD 110272 Specdb::NmrOneD 110273 Specdb::NmrOneD 110274 Specdb::NmrOneD 110275 Specdb::NmrOneD 110276 Specdb::NmrOneD 110277 HMDB29876 #<Reference:0x000055ce32517290> Avocado Type 1 specific Persea americana 3435 Eggplant Type 1 specific Solanum melongena 4111 Fruits Unknown generic