Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04706"

PredicateValue (sorted: default)
rdfs:label
"(3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL"
rdf:type
drugbank:description
" experimental This compound belongs to the cholesterols and derivatives. These are compounds containing an hydroxylated chloestane moeity. Cholesterols and Derivatives Organic Compounds Lipids Steroids and Steroid Derivatives Cholesterols and Derivatives Hydroxysteroids Cyclohexanols Cyclic Alcohols and Derivatives Polyamines 7-hydroxy-steroid 3-hydroxy-steroid cyclohexanol cyclic alcohol secondary alcohol polyamine alcohol logP 5.61 ALOGPS logS -5.9 ALOGPS Water Solubility 4.76e-04 g/l ALOGPS logP 5.96 ChemAxon IUPAC Name (1S,2R,5S,9R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol ChemAxon Traditional IUPAC Name 7β-hydroxycholesterol ChemAxon Molecular Weight 402.6529 ChemAxon Monoisotopic Weight 402.349780716 ChemAxon SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ChemAxon Molecular Formula C27H46O2 ChemAxon InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1 ChemAxon InChIKey InChIKey=OYXZMSRRJOYLLO-KGZHIOMZSA-N ChemAxon Polar Surface Area (PSA) 40.46 ChemAxon Refractivity 122.05 ChemAxon Polarizability 51.11 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 18.2 ChemAxon pKa (strongest basic) -0.83 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon PubChem Compound 473141 PubChem Substance 46505045 ChemSpider 394 PDB HCR "

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

The resource does not appear as an object

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