Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06746"

PredicateValue (sorted: default)
rdfs:label
"ginkgolide-J"
rdf:type
drugbank:description
" 107438-79-9 nutraceutical This compound belongs to the ginkgolides and bilobalides. These are diterpene lactones whose structure is based either on the gingkolide or the bilobalide skeleton. Ginkgolides and Bilobalides Organic Compounds Lipids Prenol Lipids Terpene Lactones Diterpenes Furofurans Tertiary Alcohols Tetrahydrofurans Oxolanes Secondary Alcohols Lactones Polyols Carboxylic Acid Esters Cyclic Alcohols and Derivatives Polyamines Acetals diterpene furofuran gamma butyrolactone oxolane tertiary alcohol cyclic alcohol tetrahydrofuran lactone polyol secondary alcohol carboxylic acid ester ether carboxylic acid derivative polyamine acetal alcohol logP 0.23 ALOGPS logS -1.8 ALOGPS Water Solubility 6.96e+00 g/l ALOGPS logP -0.66 ChemAxon IUPAC Name (1R,3R,6R,7S,8S,9R,10S,11S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione ChemAxon Traditional IUPAC Name (1R,3R,6R,7S,8S,9R,10S,11S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione ChemAxon Molecular Weight 424.3986 ChemAxon Monoisotopic Weight 424.136946988 ChemAxon SMILES C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O ChemAxon Molecular Formula C20H24O10 ChemAxon InChI InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17-,18+,19-,20-/m1/s1 ChemAxon InChIKey InChIKey=LMEHVEUFNRJAAV-UKWFQYJJSA-N ChemAxon Polar Surface Area (PSA) 148.82 ChemAxon Refractivity 91.46 ChemAxon Polarizability 39.26 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 11.76 ChemAxon pKa (strongest basic) -3.3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 6 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 11154476 PubChem Substance 99443282 "

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