Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07296"

Predicate	Value (sorted: default)
rdfs:label	"(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Naphthalenes Organic Compounds Benzenoids Acenes and Derivatives Naphthalenes Chlorobenzenes Aryl Chlorides Butenolides Carboxylic Acid Esters Enols Polyamines Organochlorides chlorobenzene aryl halide benzene 2-furanone aryl chloride dihydrofuran carboxylic acid ester enol carboxylic acid derivative polyamine organochloride organohalogen logP 5.23 ALOGPS logS -6 ALOGPS Water Solubility 3.48e-04 g/l ALOGPS logP 4.95 ChemAxon IUPAC Name (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)-2,5-dihydrofuran-2-one ChemAxon Traditional IUPAC Name (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one ChemAxon Molecular Weight 348.779 ChemAxon Monoisotopic Weight 348.055321989 ChemAxon SMILES OC1=C(C(=O)O\C1=C/C1=CC=CC2=CC=CC=C12)C1=CC=C(Cl)C=C1 ChemAxon Molecular Formula C21H13ClO3 ChemAxon InChI InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12- ChemAxon InChIKey InChIKey=PLGHLEBIWUQEPR-PDGQHHTCSA-N ChemAxon Polar Surface Area (PSA) 46.53 ChemAxon Refractivity 99.38 ChemAxon Polarizability 36.97 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 6.76 ChemAxon pKa (strongest basic) -6.4 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 16214806 PubChem Substance 99443767 ChemSpider 22376418 PDB 973 BE0002971 UDP-N-acetylenolpyruvoylglucosamine reductase Escherichia coli (strain K12) # 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 UDP-N-acetylenolpyruvoylglucosamine reductase Involved in UDP-N-acetylmuramate dehydrogenase activity Cell wall formation murB Cytoplasm (Probable) None 6.13 37851.0 Escherichia coli (strain K12) GenBank Gene Database M10123 UniProtKB P08373 UniProt Accession MURB_ECOLI EC 1.1.1.158 UDP-N- acetylmuramate dehydrogenase >UDP-N-acetylenolpyruvoylglucosamine reductase MNHSLKPWNTFGIDHNAQHIVCAEDEQQLLNAWQYATAEGQPVLILGEGSNVLFLEDYRG TVIINRIKGIEIHDEPDAWYLHVGAGENWHRLVKYTLQEGMPGLENLALIPGCVGSSPIQ NIGAYGVELQRVCAYVDSVELATGKQVRLTAKECRFGYRDSIFKHEYQDRFAIVAVGLRL PKEWQPVLTYGDLTRLDPTTVTPQQVFNAVCHMRTTKLPDPKVNGNAGSFFKNPVVSAET AKALLSQFPTAPNYPQADGSVKLAAGWLIDQCQLKGMQIGGAAVHRQQALVLINEDNAKS EDVVQLAHHVRQKVGEKFNVWLEPEVRFIGASGEVSAVETIS >1029 bp ATGAACCACTCCTTAAAACCCTGGAACACATTTGGCATTGATCATAATGCTCAGCACATT GTATGTGCCGAAGACGAACAACAATTACTCAATGCCTGGCAGTATGCAACCGCAGAAGGA CAACCCGTTCTTATTCTGGGTGAAGGAAGTAATGTACTTTTTCTGGAGGACTATCGCGGC ACGGTGATCATCAACCGGATCAAAGGTATCGAAATTCATGATGAACCTGATGCGTGGTAT TTACATGTAGGAGCCGGAGAAAACTGGCATCGTCTGGTAAAATACACTTTGCAGGAAGGT ATGCCTGGTCTGGAAAATCTGGCATTAATTCCTGGTTGTGTCGGCTCATCACCTATCCAG AATATTGGTGCTTATGGCGTAGAATTACAGCGAGTTTGCGCTTATGTTGATTCTGTTGAA CTGGCGACAGGCAAGCAAGTGCGCTTAACTGCCAAAGAGTGCCGTTTTGGCTATCGCGAC AGTATTTTTAAACATGAATACCAGGACCGCTTCGCTATTGTAGCCGTAGGTCTGCGTCTG CCAAAAGAGTGGCAACCTGTACTAACGTATGGTGACTTAACTCGTCTGGATCCTACAACA GTAACGCCACAGCAAGTATTTAATGCGGTGTGTCATATGCGCACCACCAAACTCCCTGAT CCAAAAGTGAATGGCAATGCCGGTAGTTTCTTCAAAAACCCTGTTGTATCTGCCGAAACG GCTAAAGCATTACTGTCACAATTTCCAACAGCACCAAATTACCCCCAGGCGGATGGTTCA GTAAAACTGGCAGCAGGTTGGCTTATCGATCAGTGCCAGCTAAAAGGGATGCAAATAGGT GGGGCTGCGGTGCACCGTCAACAGGCGTTAGTTCTCATTAATGAAGACAATGCAAAAAGC GAAGATGTTGTACAGCTGGCGCATCATGTAAGACAGAAAGTTGGTGAAAAATTTAATGTC TGGCTTGAGCCTGAAGTCCGCTTTATTGGTGCATCAGGTGAAGTGAGCGCAGTGGAGACA ATTTCATGA PF01565 FAD_binding_4 PF02873 MurB_C function UDP-N-acetylmuramate dehydrogenase activity function oxidoreductase activity function oxidoreductase activity, acting on CH-OH group of donors function oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor function catalytic activity process peptidoglycan metabolism process metabolism process peptidoglycan biosynthesis process cellular metabolism process macromolecule metabolism process generation of precursor metabolites and energy process electron transport process carbohydrate metabolism process physiological process process cellular carbohydrate metabolism "

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