1.0 2010-04-08 22:11:13 UTC 2019-11-26 03:09:53 UTC FDB014347 Feruloylspermidine Alkaloid from Ananas comosus (pineapple) and Lycopersicon esculentum (tomato). Feruloylspermidine is found in fruits and garden tomato. Feruloylspermidine C7H19N3 145.2459 145.157897623 (2E)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid (2E)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 70185-60-3 NCCCCNCCCN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-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 Amino acids and derivatives Anisoles Carbonyl compounds Cinnamic acid amides Dialkylamines Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monoalkylamines Organic oxides Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid 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 aliphatic amine Secondary amine Secondary carboxylic acid amide Styrene logp -1.1 ChemAxon pka_strongest_acidic 4.72 ChemAxon pka_strongest_basic 10.61 ChemAxon iupac (2E)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid ChemAxon average_mass 145.2459 ChemAxon mono_mass 145.157897623 ChemAxon smiles NCCCCNCCCN ChemAxon formula C7H19N3 ChemAxon inchi InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ChemAxon inchikey ATHGHQPFGPMSJY-UHFFFAOYSA-N ChemAxon polar_surface_area 100.1 ChemAxon refractivity 93.79 ChemAxon polarizability 38.08 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081