Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07635"

Predicate	Value (sorted: default)
rdfs:label	"bis(4-hydroxyphenyl)methanone"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. Benzophenones Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzophenones Diphenylmethanes Acetophenones Benzoyl Derivatives Phenols and Derivatives Ketones Enols Enolates Polyamines acetophenone benzoyl phenol derivative ketone enol polyamine enolate carbonyl group logP 2.77 ALOGPS logS -3 ALOGPS Water Solubility 1.90e-01 g/l ALOGPS logP 2.83 ChemAxon IUPAC Name 4-[(4-hydroxyphenyl)carbonyl]phenol ChemAxon Traditional IUPAC Name 4-[(4-hydroxyphenyl)carbonyl]phenol ChemAxon Molecular Weight 214.2167 ChemAxon Monoisotopic Weight 214.062994186 ChemAxon SMILES OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1 ChemAxon Molecular Formula C13H10O3 ChemAxon InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H ChemAxon InChIKey InChIKey=RXNYJUSEXLAVNQ-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 57.53 ChemAxon Refractivity 60.6 ChemAxon Polarizability 22.24 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 7.55 ChemAxon pKa (strongest basic) -6.9 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 69150 PubChem Substance 99444106 ChemSpider 62365 PDB DBE BE0001730 Lanosterol 14-alpha demethylase Mycobacterium tuberculosis # 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 Lanosterol 14-alpha demethylase Secondary metabolites biosynthesis, transport and catabolism Its precise biological substrate is not known. Catalyzes C14-demethylation of lanosterol, 24,25-dihydrolanosterol and obtusifoliol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene- 3-beta-ol cyp51 Cytoplasm None 5.71 50878.0 Mycobacterium tuberculosis GenBank Gene Database BX842574 GenBank Protein Database 1550642 UniProtKB P0A512 UniProt Accession CP51_MYCTU CYPLI EC 1.14.13.70 Lanosterol 14-alpha demethylase P450-14DM P450-LIA1 Sterol 14- alpha demethylase >Cytochrome P450 51 MSAVALPRVSGGHDEHGHLEEFRTDPIGLMQRVRDECGDVGTFQLAGKQVVLLSGSHANE FFFRAGDDDLDQAKAYPFMTPIFGEGVVFDASPERRKEMLHNAALRGEQMKGHAATIEDQ VRRMIADWGEAGEIDLLDFFAELTIYTSSACLIGKKFRDQLDGRFAKLYHELERGTDPLA YVDPYLPIESFRRRDEARNGLVALVADIMNGRIANPPTDKSDRDMLDVLIAVKAETGTPR FSADEITGMFISMMFAGHHTSSGTASWTLIELMRHRDAYAAVIDELDELYGDGRSVSFHA LRQIPQLENVLKETLRLHPPLIILMRVAKGEFEVQGHRIHEGDLVAASPAISNRIPEDFP DPHDFVPARYEQPRQEDLLNRWTWIPFGAGRHRCVGAAFAIMQIKAIFSVLLREYEFEMA QPPESYRNDHSKMVVQLAQPACVRYRRRTGV >1356 bp TTAAACTCCCGTTCGCCGGCGGTAGCGCACGCAAGCGGGCTGGGCCAACTGCACCACCAT CTTCGAATGGTCGTTACGATAGCTTTCTGGCGGTTGCGCCATCTCAAACTCATACTCGCG CAACAACACCGAGAAGATCGCTTTGATCTGCATGATGGCGAACGCCGCCCCCACGCAACG ATGCCGGCCGGCGCCGAACGGAATCCACGTCCAGCGGTTGAGCAGATCTTCCTGGCGCGG CTGCTCGTATCGTGCTGGCACGAAGTCGTGGGGATCGGGGAAGTCTTCGGGGATCCGGTT GGAGATCGCCGGGGAGGCCGCCACCAGATCGCCCTCATGAATCCGGTGGCCTTGCACCTC GAACTCGCCCTTGGCCACTCGCATGAGGATGATCAGCGGAGGGTGCAGGCGCAGCGTCTC TTTCAGCACGTTTTCCAGCTGCGGAATCTGGCGCAGCGCATGGAAACTCACCGATCGGCC GTCGCCGTACAGCTCGTCGAGTTCGTCGATCACGGCCGCGTAGGCGTCGCGATGGCGCAT CAACTCGATCAGCGTCCACGAAGCCGTACCCGAGCTGGTGTGATGGCCGGCGAACATCAT CGAGATGAACATGCCGGTGATCTCGTCGGCCGAGAACCGGGGAGTGCCGGTCTCAGCCTT GACGGCGATGAGCACGTCGAGCATGTCACGGTCGCTCTTGTCGGTGGGTGGGTTGGCGAT CCGGCCGTTCATGATGTCCGCAACCAGTGCCACCAGACCATTGCGGGCTTCGTCGCGGCG ACGGAAGCTCTCGATCGGCAGATACGGGTCGACGTAGGCTAGTGGGTCGGTGCCGCGCTC CAACTCGTGATAGAGCTTGGCGAATCGCCCGTCGAGCTGGTCGCGGAACTTCTTGCCGAT CAGGCAGGCCGAGGAGGTGTAGATGGTCAGCTCGGCGAAGAAGTCCAGCAGATCGATCTC GCCGGCCTCACCCCAGTCGGCGATCATCCGTCGGACTTGATCTTCGATGGTGGCAGCGTG GCCCTTCATCTGCTCGCCGCGTAGCGCGGCATTGTGCAGCATCTCTTTACGCCGTTCCGG GCTGGCGTCGAACACCACGCCCTCGCCGAAGATCGGCGTCATGAACGGGTATGCCTTGGC CTGGTCCAGGTCGTCGTCGCCCGCCCGGAAGAAGAATTCGTTGGCGTGCGAGCCGGACAG CAGCACGACCTGCTTCCCGGCCAGCTGGAAGGTACCGACGTCTCCGCATTCGTCGCGGAC CCGTTGCATCAGCCCGATCGGATCGGTGCGGAACTCCTCGAGGTGGCCGTGTTCGTCGTG GCCACCCGAAACCCGGGGTAGTGCAACAGCGCTCAT 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 physiological process process metabolism process cellular metabolism process generation of precursor metabolites and energy process electron transport "

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