Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02185"

PredicateValue (sorted: default)
rdfs:label
"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One"
rdf:type
drugbank:description
" experimental This compound belongs to the benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) breaing a ketone group. Benzoxazinones Organic Compounds Heterocyclic Compounds Benzoxazines Benzoxazinones Benzomorpholines Anisoles Alkyl Aryl Ethers Hemiacetals Carboxylic Acid Amides Polyamines anisole phenol ether alkyl aryl ether oxazinane benzene carboxamide group hemiacetal polyamine carboxylic acid derivative ether organonitrogen compound logP 0.13 ALOGPS logS -0.93 ALOGPS Water Solubility 2.46e+01 g/l ALOGPS logP -0.055 ChemAxon IUPAC Name (2R)-2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon Traditional IUPAC Name (2R)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3-one ChemAxon Molecular Weight 211.1715 ChemAxon Monoisotopic Weight 211.048072403 ChemAxon SMILES [H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O ChemAxon Molecular Formula C9H9NO5 ChemAxon InChI InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1 ChemAxon InChIKey InChIKey=GDNZNIJPBQATCZ-SECBINFHSA-N ChemAxon Polar Surface Area (PSA) 79.23 ChemAxon Refractivity 48.47 ChemAxon Polarizability 19.33 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 7.85 ChemAxon pKa (strongest basic) -4.6 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 445228 PubChem Substance 46508130 ChemSpider 392925 PDB HBO BE0004111 Lactase-like protein 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 Lactase-like protein Carbohydrate transport and metabolism LCTL 15q22.31 Endoplasmic reticulum membrane 542-562 8.12 65087.8 Human HUGO Gene Nomenclature Committee (HGNC) GNC:15583 GeneCards LCTL GenBank Gene Database AY358729 GenBank Protein Database 37182579 UniProtKB Q6UWM7 UniProt Accession LCTL_HUMAN Klotho/lactase-phlorizin hydrolase-related protein >Lactase-like protein MKPVWVATLLWMLLLVPRLGAARKGSPEEASFYYGTFPLGFSWGVGSSAYQTEGAWDQDG KGPSIWDVFTHSGKGKVLGNETADVACDGYYKVQEDIILLRELHVNHYRFSLSWPRLLPT GIRAEQVNKKGIEFYSDLIDALLSSNITPIVTLHHWDLPQLLQVKYGGWQNVSMANYFRD YANLCFEAFGDRVKHWITFSDPRAMAEKGYETGHHAPGLKLRGTGLYKAAHHIIKAHAKA WHSYNTTWRSKQQGLVGISLNCDWGEPVDISNPKDLEAAERYLQFCLGWFANPIYAGDYP QVMKDYIGRKSAEQGLEMSRLPVFSLQEKSYIKGTSDFLGLGHFTTRYITERNYPSRQGP SYQNDRDLIELVDPNWPDLGSKWLYSVPWGFRRLLNFAQTQYGDPPIYVMENGASQKFHC TQLCDEWRIQYLKGYINEMLKAIKDGANIKGYTSWSLLDKFEWEKGYSDRYGFYYVEFND RNKPRYPKASVQYYKKIIIANGFPNPREVESWYLKALETCSINNQMLAAEPLLSHMQMVT EIVVPTVCSLCVLITAVLLMLLLRRQS >1704 bp ATGAAGCCAGTGTGGGTCGCCACCCTTCTGTGGATGCTACTGCTGGTGCCCAGGCTGGGG GCCGCCCGGAAGGGGTCCCCAGAAGAGGCCTCCTTCTACTATGGAACCTTCCCTCTTGGC TTCTCCTGGGGCGTGGGCAGTTCTGCCTACCAGACGGAGGGCGCCTGGGACCAGGACGGG AAAGGGCCTAGCATCTGGGACGTCTTCACACACAGTGGGAAGGGGAAAGTGCTTGGGAAT GAGACGGCAGATGTAGCCTGTGACGGCTACTACAAGGTCCAGGAGGACATCATTCTGCTG AGGGAACTGCACGTCAACCACTACCGATTCTCCCTGTCTTGGCCCCGGCTCCTGCCCACA GGCATCCGAGCCGAGCAGGTGAACAAGAAGGGAATCGAATTCTACAGTGATCTTATCGAT GCCCTTCTGAGCAGCAACATCACTCCCATCGTGACCTTGCACCACTGGGATCTGCCACAG CTGCTCCAGGTCAAATACGGTGGGTGGCAGAATGTGAGCATGGCCAACTACTTCAGAGAC TACGCCAACCTGTGCTTTGAGGCCTTTGGGGACCGTGTGAAGCACTGGATCACGTTCAGT GATCCTCGGGCAATGGCAGAAAAAGGCTATGAGACGGGCCACCATGCGCCGGGCCTGAAG CTCCGCGGCACCGGCCTGTACAAGGCAGCACACCACATCATTAAGGCCCACGCCAAAACC TGGCATTCTTATAACACCACGTGGCGCAGCAAGCAGCAAGGTCTGGTGGGAATTTCACTG AACTGTGACTGGGGGGAACCTGTGGACATTAGTAACCCCAAGGACCTAGAGGCTGCCGAG AGATACCTACAGTTCTGTCTGGGCTGGTTTGCCAACCCCATTTATGCCGGTGACTACCCC CAAGTCATGAAGGACTACATTGGAAGAAAGAGTGCAGAGCAAGGCCTGGAGATGTCGAGG TTACCGGTGTTCTCACTCCAGGAGAAGAGCTACATTAAAGGCACATCCGATTTCTTGGGA TTAGGTCATTTTACTACTCGGTACATCACGGAAAGGAACTACCCCTCCCGCCAGGGGCCC AGCTACCAGAACGATCGTGACTTGATAGAGCTGGTTGACCCAAACTGGCCAGATCTGGGG TCTAAATGGCTATATTCTGTGCCATGGGGATTTAGGAGGCTCCTTAACTTTGCTCAGACT CAATACGGTGATCCTCCCATATATGTGATGGAAAATGGAGCATCTCAAAAATTCCACTGT ACTCAATTATGTGATGAGTGGAGAATTCAATACCTTAAAGGATACATAAATGAAATGCTA AAAGCTATAAAAGATGGTGCTAATATAAAGGGGTATACTTCCTGGTCTCTGTTGGATAAG TTTGAATGGGAGAAAGGATACTCAGATAGATATGGATTCTACTATGTTGAATTTAACGAC AGAAATAAGCCTCGCTATCCAAAGGCTTCAGTTCAATATTACAAGAAGATTATCATTGCC AATGGGTTTCCCAATCCAAGAGAGGTGGAAAGTTGGTACCTCAAAGCTTTGGAAACTTGC TCTATCAACAATCAGATGCTTGCTGCAGAGCCTTTGCTAAGTCACATGCAAATGGTTACG GAGATCGTGGTACCCACTGTCTGCTCCCTCTGTGTCCTCATCACTGCTGTTCTACTAATG CTCCTCCTGAGGAGGCAGAGCTGA PF00232 Glyco_hydro_1 function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function catalytic activity function hydrolase activity process carbohydrate metabolism process physiological process process metabolism process macromolecule metabolism "
owl:sameAs

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt

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