Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02170"

Predicate	Value (sorted: default)
rdfs:label	"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthones Organic Compounds Heterocyclic Compounds Benzopyrans Dibenzopyrans Chromones Nitrophenols and Derivatives Nitrobenzenes Aminophenols Pyranones and Derivatives Nitronic Acids Polyols Nitro Compounds Enols Polyamines Organic Oxoazanium Compounds chromone nitrophenol derivative nitrobenzene aminophenol pyranone phenol derivative benzene pyran nitro compound polyol nitronic acid organic oxoazanium polyamine enol organonitrogen compound amine logP 2.53 ALOGPS logS -2.9 ALOGPS Water Solubility 3.25e-01 g/l ALOGPS logP 3.59 ChemAxon IUPAC Name 1,8-dihydroxy-4-nitro-9H-xanthen-9-one ChemAxon Traditional IUPAC Name 1,8-dihydroxy-4-nitroxanthen-9-one ChemAxon Molecular Weight 273.1978 ChemAxon Monoisotopic Weight 273.027336961 ChemAxon SMILES OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O ChemAxon Molecular Formula C13H7NO6 ChemAxon InChI InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H ChemAxon InChIKey InChIKey=ZOHCDJRFYXKEQW-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 112.58 ChemAxon Refractivity 68.1 ChemAxon Polarizability 24.39 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 7.26 ChemAxon pKa (strongest basic) -5.2 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5326637 PubChem Substance 46508489 ChemSpider 4484006 PDB MNX BE0001209 Casein kinase II subunit alpha Human # 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 Casein kinase II subunit alpha Involved in protein kinase activity Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. The alpha and alpha' chains contain the catalytic site. Participates in Wnt signaling. CK2 phosphorylates 'Ser-392' of p53/TP53 following UV irradiation CSNK2A1 20p13 None 7.86 45144.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2457 GenAtlas CSNK2A1 GeneCards CSNK2A1 GenBank Gene Database J02853 GenBank Protein Database 598147 UniProtKB P68400 UniProt Accession CSK21_HUMAN CK II EC 2.7.11.1 >Casein kinase II subunit alpha MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINIT NNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTD FKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAE FYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYD QLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDF LDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPT PSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ >1176 bp ATGTCGGGACCCGTGCCAAGCAGGGCCAGAGTTTACACAGATGTTAATACACACAGACCT CGAGAATACTGGGATTACGAGTCACATGTGGTGGAATGGGGAAATCAAGATGACTACCAG CTGGTTCGAAAATTAGGCCGAGGTAAATACAGTGAAGTATTTGAAGCCATCAACATCACA AATAATGAAAAAGTTGTTGTTAAAATTCTCAAGCCAGTAAAAAAGAAGAAAATTAAGCGT GAAATAAAGATTTTGGAGAATTTGAGAGGAGGTCCCAACATCATCACACTGGCAGACATT GTAAAAGACCCTGTGTCACGAACCCCCGCCTTGGTTTTTGAACACGTAAACAACACAGAC TTCAAGCAATTGTACCAGACGTTAACAGACTATGATATTCGATTTTACATGTATGAGATT CTGAAGGCCCTGGATTATTGTCACAGCATGGGAATTATGCACAGAGATGTCAAGCCCCAT AATGTCATGATTGATCATGAGCACAGAAAGCTACGACTAATAGACTGGGGTTTGGCTGAG TTTTATCATCCTGGCCAAGAATATAATGTCCGAGTTGCTTCCCGATACTTCAAAGGTCCT GAGCTACTTGTAGACTATCAGATGTACGATTATAGTTTGGATATGTGGAGTTTGGGTTGT ATGCTGGCAAGTATGATCTTTCGGAAGGAGCCATTTTTCCATGGACATGACAATTATGAT CAGTTGGTGAGGATAGCCAAGGTTCTGGGGACAGAAGATTTATATGACTATATTGACAAA TACAACATTGAATTAGATCCACGTTTCAATGATATCTTGGGCAGACACTCTCGAAAGCGA TGGGAACGCTTTGTCCACAGTGAAAATCAGCACCTTGTCAGCCCTGAGGCCTTGGATTTC CTGGACAAACTGCTGCGATATGACCACCAGTCACGGCTTACTGCAAGAGAGGCAATGGAG CACCCCTATTTCTACACTGTTGTGAAGGACCAGGCTCGAATGGGTTCATCTAGCATGCCA GGGGGCAGTACGCCCGTCAGCAGCGCCAATATGATGTCAGGGATTTCTTCAGTGCCAACC CCTTCACCCCTTGGACCTCTGGCAGGCTCACCAGTGATTGCTGCTGCCAACCCCCTTGGG ATGCCTGTTCCAGCTGCCGCTGGCGCTCAGCAGTAA PF00069 Pkinase function protein serine/threonine kinase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function binding function transferase activity function ATP binding function catalytic activity function transferase activity, transferring phosphorus-containing groups function kinase activity function protein kinase activity process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification process physiological process process metabolism process macromolecule metabolism "
owl:sameAs	drug:EXPT02205

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