Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02224"

PredicateValue (sorted: default)
rdfs:label
"(2s,3s)-Trans-Dihydroquercetin"
rdf:type
drugbank:description
" 480-18-2 experimental This compound belongs to the flavanonols. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing an hydroxyl group and a ketone at the carbon C2 and C3, respectively. Flavanonols Organic Compounds Phenylpropanoids and Polyketides Flavonoids Flavans Chromones Resorcinols Catechols Alkyl Aryl Ethers Ketones Secondary Alcohols Polyols Polyamines Enols chromone chromane benzopyran resorcinol 1,2-diphenol alkyl aryl ether phenol derivative benzene ketone secondary alcohol polyol polyamine ether enol carbonyl group alcohol logP 1.07 ALOGPS logS -2.4 ALOGPS Water Solubility 1.16e+00 g/l ALOGPS logP 1.82 ChemAxon IUPAC Name (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon Traditional IUPAC Name (+)-taxifolin ChemAxon Molecular Weight 304.2516 ChemAxon Monoisotopic Weight 304.058302738 ChemAxon SMILES O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1 ChemAxon Molecular Formula C15H12O7 ChemAxon InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 ChemAxon InChIKey InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-N ChemAxon Polar Surface Area (PSA) 127.45 ChemAxon Refractivity 74.61 ChemAxon Polarizability 29.03 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 7.8 ChemAxon pKa (strongest basic) -3.9 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon logP 0.95 PERRISSOUD,D & TESTA,B (1986) ChEBI 17948 PubChem Compound 439533 PubChem Substance 46508033 KEGG Compound C01617 ChemSpider 458 PDB DH2 "
owl:sameAs

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

The resource does not appear as an object

Context graph