Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03285"

PredicateValue (sorted: default)
rdfs:label
"2',4,4'-Trihydroxychalcone"
rdf:type
drugbank:description
" experimental This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution. Chalcones and Dihydrochalcones Organic Compounds Phenylpropanoids and Polyketides Flavonoids Chalcones and Dihydrochalcones Hydroxycinnamic Acids and Derivatives Acetophenones Styrenes Resorcinols Benzoyl Derivatives Acryloyl Compounds Enones Enols Polyamines Enolates cinnamic acid or derivative hydroxycinnamic acid or derivative acetophenone styrene resorcinol benzoyl phenol derivative benzene acryloyl-group enone ketone enolate polyamine enol carbonyl group logP 3.04 ALOGPS logS -3.7 ALOGPS Water Solubility 5.51e-02 g/l ALOGPS logP 3.63 ChemAxon IUPAC Name (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon Traditional IUPAC Name isoliquiritigenin ChemAxon Molecular Weight 256.2534 ChemAxon Monoisotopic Weight 256.073558872 ChemAxon SMILES OC1=CC=C(\C=C\C(=O)C2=CC=C(O)C=C2O)C=C1 ChemAxon Molecular Formula C15H12O4 ChemAxon InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ ChemAxon InChIKey InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N ChemAxon Polar Surface Area (PSA) 77.76 ChemAxon Refractivity 72.82 ChemAxon Polarizability 26.66 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 7.75 ChemAxon pKa (strongest basic) -5.9 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 638278 PubChem Substance 46506198 PDB HCC "
owl:sameAs

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