1.0 2010-04-08 22:09:18 UTC 2019-11-26 03:04:06 UTC FDB010779 N-trans-Feruloyloctopamine Constituent of roots of bell pepper (Capsicum annuum variety grossum). N-trans-Feruloyloctopamine is found in many foods, some of which are yellow bell pepper, potato, red bell pepper, and eggplant. N-cis-Feruloyloctopamine N-trans-Feruloyloctopamine C18H19NO5 329.3472 329.126322723 (2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide 66648-44-0 COC1=CC(\C=C\C(=O)NCC(O)C2=CC=C(O)C=C2)=CC=C1O InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+ VJSCHQMOTSXAKB-YCRREMRBSA-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 Aromatic alcohols Carbonyl compounds Cinnamic acid amides Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary alcohols Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic alcohol 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 alcohol Secondary carboxylic acid amide Styrene logp 1.61 ALOGPS logs -3.84 ALOGPS solubility 4.75e-02 g/l ALOGPS melting_point Mp 164-165° (as tri-Ac) logp 1.88 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic 1.11 ChemAxon iupac (2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide ChemAxon average_mass 329.3472 ChemAxon mono_mass 329.126322723 ChemAxon smiles COC1=CC(\C=C\C(=O)NCC(O)C2=CC=C(O)C=C2)=CC=C1O ChemAxon formula C18H19NO5 ChemAxon inchi InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+ ChemAxon inchikey VJSCHQMOTSXAKB-YCRREMRBSA-N ChemAxon polar_surface_area 99.02 ChemAxon refractivity 90.78 ChemAxon polarizability 34.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25890 Specdb::CMs 42972 Specdb::CMs 150074 Specdb::MsMs 107814 Specdb::MsMs 107815 Specdb::MsMs 107816 Specdb::MsMs 174888 Specdb::MsMs 174889 Specdb::MsMs 174890 Specdb::MsMs 452172 Specdb::MsMs 2227260 Specdb::MsMs 2227442 Specdb::MsMs 2229612 Specdb::MsMs 2229880 Specdb::MsMs 2234489 Specdb::MsMs 3055364 Specdb::MsMs 3055365 Specdb::MsMs 3055366 Specdb::MsMs 3111632 Specdb::MsMs 3111633 Specdb::MsMs 3111634 HMDB32805 #<Reference:0x000055ce332f3cb0> Eggplant Type 1 specific Solanum melongena 4111 Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 0.15 0.15 0.15 mg/100 g Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 0.15 0.15 0.15 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.15 0.15 0.15 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 Red bell pepper Type 1 specific Capsicum annuum 4072 0.15 0.15 0.15 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 0.15 0.15 0.15 mg/100 g