Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08754"

Predicate	Value (sorted: none)
drugbank:description	" experimental This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids. Cinnamic Acid Amides Organic Compounds Phenylpropanoids and Polyketides Cinnamic Acids and Derivatives Cinnamic Acid Amides Hydroxycinnamic Acids and Derivatives Phenethylamines Phenylpropenes Styrenes Catechols Enones Polyols Secondary Carboxylic Acid Amides Enolates Enols Polyamines Carboxylic Acids phenylpropene phenethylamine styrene 1,2-diphenol phenol derivative benzene enone secondary carboxylic acid amide carboxamide group polyol carboxylic acid derivative carboxylic acid enolate enol polyamine amine organonitrogen compound logP 2.26 ALOGPS logS -3.9 ALOGPS Water Solubility 3.80e-02 g/l ALOGPS logP 2.66 ChemAxon IUPAC Name (2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide ChemAxon Traditional IUPAC Name (2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide ChemAxon Molecular Weight 299.3212 ChemAxon Monoisotopic Weight 299.115758037 ChemAxon SMILES OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1 ChemAxon Molecular Formula C17H17NO4 ChemAxon InChI InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+ ChemAxon InChIKey InChIKey=VSHUQLRHTJOKTA-XBXARRHUSA-N ChemAxon Polar Surface Area (PSA) 89.79 ChemAxon Refractivity 85.09 ChemAxon Polarizability 31.99 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 9.04 ChemAxon pKa (strongest basic) 1.21 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon ChemSpider 8170478 PDB Y13 BE0004391 Peptide deformylase Helicobacter pylori # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Peptide deformylase Translation, ribosomal structure and biogenesis def Cytoplasmic None 6.25 20038.3 Helicobacter pylori GeneCards def GenBank Gene Database AY559449 GenBank Protein Database 49089809 UniProtKB Q672W7 UniProt Accession Q672W7_HELPX >Peptide deformylase MALLEIIHYPSKILRTISKEVVSFDAKLHQQLDDMYETMIASEGIGLAAIQVGLPLRMLI INLPQEDGVQHKEDCLEIINPKFIETGGSMMYKEGCLSVPGFYEEVERFEKVKIEYQNRF AEVKVLEASELLAVAIQHEIDHLNGVLFVDKLSILKRKKFEKELKELQKKQKHK PF01327 Pep_deformylase function ion binding function cation binding function transition metal ion binding function binding function iron ion binding function catalytic activity function peptide deformylase activity function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides process physiological process process macromolecule biosynthesis process protein biosynthesis process metabolism process macromolecule metabolism "
rdf:type	drugbank:drugs
rdfs:label	"(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE"

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