Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02521"

Predicate	Value (sorted: none)
drugbank:description	" 479-05-0 experimental This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone). Naphthoquinones Organic Compounds Benzenoids Acenes and Derivatives Naphthalenes p-Quinones p-Benzoquinones Resorcinols Polyols Polyamines Enols p-benzoquinone quinone p-quinone resorcinol phenol derivative benzene ketone polyol polyamine enol carbonyl group logP 1.33 ALOGPS logS -1.9 ALOGPS Water Solubility 2.40e+00 g/l ALOGPS logP 1.02 ChemAxon IUPAC Name 2,5,7-trihydroxy-1,4-dihydronaphthalene-1,4-dione ChemAxon Traditional IUPAC Name flaviolin ChemAxon Molecular Weight 206.1516 ChemAxon Monoisotopic Weight 206.021523302 ChemAxon SMILES OC1=CC2=C(C(O)=C1)C(=O)C=C(O)C2=O ChemAxon Molecular Formula C10H6O5 ChemAxon InChI InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H ChemAxon InChIKey InChIKey=RROPNRTUMVVUED-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 94.83 ChemAxon Refractivity 52.11 ChemAxon Polarizability 18.31 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 7.12 ChemAxon pKa (strongest basic) -4.5 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 160478 PubChem Substance 46505645 ChemSpider 14346744 PDB FLV BE0002707 Putative cytochrome P450 Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) # 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 Putative cytochrome P450 Involved in monooxygenase activity SCO1207 None 5.02 44355.0 Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) GenBank Gene Database AL939108 UniProtKB Q9FCA6 UniProt Accession Q9FCA6_STRCO >Putative cytochrome P450 MTEETISQAVPPVRDWPAVDLPGSDFDPVLTELMREGPVTRISLPNGEGWAWLVTRHDDV RLVTNDPRFGREAVMDRQVTRLAPHFIPARGAVGFLDPPDHTRLRRSVAAAFTARGVERV RERSRGMLDELVDAMLRAGPPADLTEAVLSPFPIAVICELMGVPATDRHSMHTWTQLILS SSHGAEVSERAKNEMNAYFSDLIGLRSDSAGEDVTSLLGAAVGRDEITLSEAVGLAVLLQ IGGEAVTNNSGQMFHLLLSRPELAERLRSEPEIRPRAIDELLRWIPHRNAVGLSRIALED VEIKGVRIRAGDAVYVSYLAANRDPEVFPDPDRIDFERSPNPHVSFGFGPHYCPGGMLAR LESELLVDAVLDRVPGLKLAVAPEDVPFKKGALIRGPEALPVTW >1215 bp ATGACTGAAGAAACGATTTCCCAGGCCGTGCCACCCGTCCGGGACTGGCCGGCCGTCGAC CTTCCCGGCAGCGACTTCGACCCGGTGCTGACCGAGCTGATGCGCGAGGGTCCCGTCACC CGGATCTCGCTGCCCAACGGCGAGGGCTGGGCCTGGCTCGTGACCCGCCACGACGACGTC CGCCTGGTCACCAACGACCCCCGGTTCGGGCGCGAGGCCGTCATGGACCGCCAGGTCACC CGGCTGGCCCCGCACTTCATCCCGGCGCGCGGCGCGGTGGGCTTCCTGGACCCGCCCGAC CACACCCGGCTGCGCCGCTCGGTGGCCGCGGCCTTCACCGCGCGGGGCGTGGAGCGGGTG CGCGAGCGGTCCCGGGGCATGCTCGACGAGCTGGTCGACGCCATGCTGAGGGCCGGTCCG CCCGCCGACCTCACCGAGGCGGTGCTGAGCCCGTTCCCCATCGCGGTGATCTGCGAGCTG ATGGGTGTGCCGGCCACCGACCGGCACTCCATGCACACCTGGACCCAGCTGATCCTGTCC TCCTCGCACGGCGCCGAGGTCAGCGAGCGGGCCAAGAACGAGATGAACGCCTACTTCTCG GATCTCATCGGGCTCCGCTCCGACAGCGCGGGCGAGGACGTCACCTCGCTGCTGGGTGCC GCCGTGGGGCGGGACGAGATCACGCTGTCGGAGGCCGTCGGGCTCGCGGTGCTGCTCCAG ATCGGCGGCGAGGCGGTCACCAACAACAGCGGGCAGATGTTCCACCTGCTGCTGAGCCGC CCGGAGCTGGCCGAACGCCTGCGCTCCGAGCCGGAGATCCGCCCCCGGGCCATCGACGAG CTGCTGCGCTGGATCCCGCACCGCAACGCCGTGGGGCTGTCCCGGATCGCCCTGGAGGAC GTGGAGATCAAGGGGGTGCGGATCCGCGCGGGCGACGCCGTCTACGTCTCGTACCTGGCG GCCAACCGCGACCCGGAGGTGTTCCCCGACCCGGACCGCATCGACTTCGAGCGCTCCCCC AACCCGCACGTCTCCTTCGGCTTCGGCCCGCACTACTGTCCCGGCGGCATGCTGGCGCGG CTGGAGTCGGAGCTGCTCGTCGACGCGGTCCTGGACCGCGTGCCGGGGCTGAAGCTCGCG GTGGCGCCGGAGGACGTGCCCTTCAAGAAGGGTGCGCTGATCCGCGGGCCCGAGGCCCTG CCGGTGACGTGGTGA PF00067 p450 function tetrapyrrole binding function catalytic activity function heme binding function monooxygenase activity function oxidoreductase activity function ion binding function cation binding function transition metal ion binding function iron ion binding function binding process metabolism process cellular metabolism process generation of precursor metabolites and energy process electron transport process physiological process BE0004037 Prenyltransferase Streptomyces sp. (strain CL190) # 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 Prenyltransferase Involved in transferase activity None 4.64 33744.0 Streptomyces sp. (strain CL190) GenBank Gene Database AB187169 GenBank Protein Database 67968193 UniProtKB Q4R2T2 UniProt Accession Q4R2T2_STRC1 >Prenyltransferase MSEAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVFSMASGRHSTE LDFSISVPTSHGDPYATVVEKGLFPATGHPVDDLLADTQKHLPVSMFAIDGEVTGGFKKT YAFFPTDNMPGVAELSAIPSMPPAVAENAELFARYGLDKVQMTSMDYKKRQVNLYFSELS AQTLEAESVLALVRELGLHVPNELGLKFCKRSFSVYPTLNWETGKIDRLCFAVISNDPTL VPSSDEGDIEKFHNYATKAPYAYVGEKRTLVYGLTLSPKEEYYKLGAYYHITDVQRGLLK AFDSLED "
rdfs:label	"2,5,7-Trihydroxynaphthoquinone"
owl:sameAs	drug:EXPT01448
rdf:type	drugbank:drugs

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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