1.0 2010-04-08 22:09:18 UTC 2019-11-26 03:04:06 UTC FDB010778 N-trans-p-Coumaroyloctopamine Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine C17H17NO4 299.3212 299.115758037 (2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide (2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide 66648-45-1 OC(CNC(=O)\C=C\C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+ VATOSFCFMOPAHX-XCVCLJGOSA-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 Aromatic alcohols Carbonyl compounds Cinnamic acid amides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Coumaric acid or derivatives Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Secondary alcohol Secondary carboxylic acid amide Styrene logp 1.72 ALOGPS logs -3.75 ALOGPS solubility 5.32e-02 g/l ALOGPS melting_point Mp 214-215° logp 2.04 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic 1.11 ChemAxon iupac (2E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide ChemAxon average_mass 299.3212 ChemAxon mono_mass 299.115758037 ChemAxon smiles OC(CNC(=O)\C=C\C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 ChemAxon formula C17H17NO4 ChemAxon inchi InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+ ChemAxon inchikey VATOSFCFMOPAHX-XCVCLJGOSA-N ChemAxon polar_surface_area 89.79 ChemAxon refractivity 84.32 ChemAxon polarizability 31.98 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21663 Specdb::CMs 42971 Specdb::CMs 133943 Specdb::CMs 141677 Specdb::MsMs 46728 Specdb::MsMs 46729 Specdb::MsMs 46730 Specdb::MsMs 157854 Specdb::MsMs 157855 Specdb::MsMs 157856 Specdb::MsMs 452229 Specdb::MsMs 2371384 Specdb::MsMs 2371385 Specdb::MsMs 2371386 Specdb::MsMs 2564355 Specdb::MsMs 2564356 Specdb::MsMs 2564357 HMDB32804 #<Reference:0x000055ce2eeb7ee8> Eggplant Type 1 specific Solanum melongena 4111 Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 0.1 0.1 0.1 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 0.1 0.1 0.1 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.1 0.1 0.1 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 0.1 0.1 0.1 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 0.1 0.1 0.1 mg/100 g