1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:40 UTC FDB011205 Avenanthramide L Isolated from oat, Avena sativa, inoculated with Puccinia coronata f.species avenae. Avenanthramide L is found in oat and cereals and cereal products. C18H15NO5 325.3154 325.095022595 5-hydroxy-2-[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienamido]benzoic acid 5-hydroxy-2-[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienamido]benzoic acid 172549-38-1 OC(=O)C1=C(NC(=O)\C=C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1 InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+ FRNDILDQFSAXAR-ZPUQHVIOSA-N belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. Acylaminobenzoic acid and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Anilides Benzoic acids Benzoyl derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives N-arylamides Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Styrenes Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid Acylaminobenzoic acid or derivatives Anilide Aromatic homomonocyclic compound Benzoic acid Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives N-arylamide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Secondary carboxylic acid amide Styrene Vinylogous amide logp 3.40 ALOGPS logs -4.53 ALOGPS solubility 9.64e-03 g/l ALOGPS melting_point Mp 267-269° logp 3.8 ChemAxon pka_strongest_acidic 3.31 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 5-hydroxy-2-[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienamido]benzoic acid ChemAxon average_mass 325.3154 ChemAxon mono_mass 325.095022595 ChemAxon smiles OC(=O)C1=C(NC(=O)\C=C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1 ChemAxon formula C18H15NO5 ChemAxon inchi InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+ ChemAxon inchikey FRNDILDQFSAXAR-ZPUQHVIOSA-N ChemAxon polar_surface_area 106.86 ChemAxon refractivity 92.87 ChemAxon polarizability 33.81 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22629 Specdb::CMs 43134 Specdb::CMs 166158 Specdb::MsMs 85752 Specdb::MsMs 85753 Specdb::MsMs 85754 Specdb::MsMs 147900 Specdb::MsMs 147901 Specdb::MsMs 147902 Specdb::MsMs 451851 Specdb::MsMs 451852 Specdb::MsMs 2336317 Specdb::MsMs 2336318 Specdb::MsMs 2336319 Specdb::MsMs 2629745 Specdb::MsMs 2629746 Specdb::MsMs 2629747 HMDB33193 #<Reference:0x000055ce3333cf28> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Oat Type 1 specific Avena sativa 4498