1.0 2010-04-08 22:10:55 UTC 2015-07-20 23:02:40 UTC FDB013814 [3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI Maillard product from reaction of L-alanine and 2-Furancarboxaldehyde <ht>FTR29-Z</ht> 4-Hydroxy-N-(2-diethylaminoethyl)benzamide N-(2-(Diethylamino)ethyl)-4-hydroxybenzamide hydrochloride p-Hydroxy-N-(2-diethylaminoethyl)benzamide hydrochloride C23H17NO7 419.3836 419.100501903 2-[(2E)-5-(furan-2-yl)-4-[(1E)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]propanoic acid 2-[(5E)-2-(furan-2-yl)-3-[(1E)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-5-(furan-2-ylmethylidene)-4-oxopyrrol-1-yl]propanoic acid 198414-08-3 CC(N1\C(=C\C2=CC=CO2)C(=O)C(\C(C=O)=C/C2=CC=CO2)=C1C1=CC=CO1)C(O)=O InChI=1S/C23H17NO7/c1-14(23(27)28)24-18(12-17-6-3-9-30-17)22(26)20(21(24)19-7-4-10-31-19)15(13-25)11-16-5-2-8-29-16/h2-14H,1H3,(H,27,28)/b15-11-,18-12+ WKLHCENPFNYZSQ-DARJFKRNSA-N belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Alanine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Aldehydes Alpha amino acids Amino acids Azacyclic compounds Carboxylic acids Cyclic ketones Enals Enamines Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pyrrolines Trialkylamines Vinylogous amides Alanine or derivatives Aldehyde Alpha,beta-unsaturated aldehyde Alpha-amino acid Amine Amino acid Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Cyclic ketone Enal Enamine Furan Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrroline Tertiary aliphatic amine Tertiary amine Vinylogous amide logp 3.29 ALOGPS logs -4.26 ALOGPS solubility 2.32e-02 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic 3.63 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2-[(2E)-5-(furan-2-yl)-4-[(1E)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]propanoic acid ChemAxon average_mass 419.3836 ChemAxon mono_mass 419.100501903 ChemAxon smiles CC(N1\C(=C\C2=CC=CO2)C(=O)C(\C(C=O)=C/C2=CC=CO2)=C1C1=CC=CO1)C(O)=O ChemAxon formula C23H17NO7 ChemAxon inchi InChI=1S/C23H17NO7/c1-14(23(27)28)24-18(12-17-6-3-9-30-17)22(26)20(21(24)19-7-4-10-31-19)15(13-25)11-16-5-2-8-29-16/h2-14H,1H3,(H,27,28)/b15-11-,18-12+ ChemAxon inchikey WKLHCENPFNYZSQ-DARJFKRNSA-N ChemAxon polar_surface_area 114.1 ChemAxon refractivity 111.95 ChemAxon polarizability 41.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90321 Specdb::MsMs 90322 Specdb::MsMs 90323 Specdb::MsMs 153453 Specdb::MsMs 153454 Specdb::MsMs 153455 Specdb::MsMs 2383553 Specdb::MsMs 2383554 Specdb::MsMs 2383555 Specdb::MsMs 2582885 Specdb::MsMs 2582886 Specdb::MsMs 2582887 Specdb::CMs 24191 Specdb::CMs 44233 Specdb::CMs 165702 HMDB35174 #<Reference:0x000055ce30643e40>