Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07339"

Predicate	Value (sorted: default)
rdfs:label	"(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles and Derivatives Organic Compounds Heterocyclic Compounds Indoles and Derivatives o-Quinones o-Benzoquinones Pyrrolidines Secondary Alcohols Tertiary Amines Polyamines Enamines o-quinone quinone o-benzoquinone pyrrolidine ketone tertiary amine secondary alcohol polyamine enamine organonitrogen compound amine alcohol carbonyl group logP 0.08 ALOGPS logS -0.42 ALOGPS Water Solubility 6.80e+01 g/l ALOGPS logP -0.31 ChemAxon IUPAC Name (3S)-3-hydroxy-1-methyl-2,3,5,6-tetrahydro-1H-indole-5,6-dione ChemAxon Traditional IUPAC Name (3S)-3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione ChemAxon Molecular Weight 179.1727 ChemAxon Monoisotopic Weight 179.058243159 ChemAxon SMILES [H][C@@]1(O)CN(C)C2=CC(=O)C(=O)C=C12 ChemAxon Molecular Formula C9H9NO3 ChemAxon InChI InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3/t9-/m1/s1 ChemAxon InChIKey InChIKey=RPHLQSHHTJORHI-SECBINFHSA-N ChemAxon Polar Surface Area (PSA) 57.61 ChemAxon Refractivity 48.56 ChemAxon Polarizability 17.39 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 14.09 ChemAxon pKa (strongest basic) 3.88 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 23270857 PubChem Substance 99443810 ChemSpider 10430889 PDB AD1 BE0000220 Ribosyldihydronicotinamide dehydrogenase [quinone] 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 Ribosyldihydronicotinamide dehydrogenase [quinone] Involved in oxidoreductase activity The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinones involved in detoxification pathways as well as in biosynthetic processes such as the vitamin K-dependent gamma-carboxylation of glutamate residues in prothrombin synthesis NQO2 6pter-q12 Cytoplasm None 6.24 25822.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:7856 GenAtlas NQO2 GeneCards NQO2 GenBank Gene Database J02888 GenBank Protein Database 190818 UniProtKB P16083 UniProt Accession NQO2_HUMAN EC 1.10.99.2 NRH dehydrogenase [quinone] 2 NRH:quinone oxidoreductase 2 QR2 Quinone reductase 2 >Ribosyldihydronicotinamide dehydrogenase [quinone] AGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNFEPRATDKDITGTLS NPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVL CQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDSRYFLWPLQHGTLHFCG FKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ >696 bp ATGGCAGGTAAGAAAGTACTCATTGTCTATGCACACCAGGAACCCAAGTCTTTCAACGGA TCCTTGAAGAATGTGGCTGTAGATGAACTGAGCAGGCAGGGCTGCACCGTCACAGTGTCT GATTTGTATGCCATGAACTTTGAGCCGAGGGCCACAGACAAAGATATCACTGGTACTCTT TCTAATCCTGAGGTTTTCAATTATGGAGTGGAAACCCACGAAGCCTACAAGCAAAGGTCT CTGGCTAGCGACATCACTGATGAGCAGAAAAAGGTTCGGGAGGCTGACCTAGTGATATTT CAGTTCCCGCTGTACTGGTTCAGCGTGCCGGCCATCCTGAAGGGCTGGATGGATAGGGTG CTGTGCCAGGGCTTTGCCTTTGACATCCCAGGATTCTACGATTCCGGTTTGCTCCAGGGT AAACTAGCGCTCCTTTCCGTAACCACGGGAGGCACGGCCGAGATGTACACGAAGACAGGA GTCAATGGAGATTCTCGATACTTCCTGTGGCCACTCCAGCATGGCACATTACACTTCTGT GGATTTAAAGTCCTTGCCCCTCAGATCAGCTTTGCTCCTGAAATTGCATCCGAAGAAGAA AGAAAGGGGATGGTGGCTGCGTGGTCCCAGAGGCTGCAGACCATCTGGAAGGAAGAGCCC ATCCCCTGCACAGCCCACTGGCACTTCGGGCAATAA PF02525 Flavodoxin_2 function oxidoreductase activity function oxidoreductase activity, acting on NADH or NADPH function NAD(P)H dehydrogenase (quinone) activity function catalytic activity process metabolism process cellular metabolism process generation of precursor metabolites and energy process electron transport process physiological process "

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