393083

Source:http://linkedlifedata.com/resource/chembl/compound/393083

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:393083_Astragalin_OTHER, synonym:393083_Kaempferol 3-O-Glucoside_OTHER
chemicalCompound:standardIn...	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
chemicalCompound:standardIn...	JPUKWEQWGBDDQB-QSOFNFLRSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C21H20O11
chemicalCompound:moleculeId	393083
chemicalCompound:mwFreebase	448.377
chemicalCompound:alogp	-0.058
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	186.37
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.201
chemicalCompound:acdLogP	1.212
chemicalCompound:acdLogD	-0.391
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	448.377
chemicalCompound:chemblId	CHEMBL233930
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:493083
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ASTRAGALIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:30200
chemicalCompound:activity	activity:688037, activity:688038, activity:688039, activity:1093071, activity:1949756, activity:1953670, activity:1953674, activity:1953681, activity:1953682, activity:1953686, activity:1953690, activity:1953694, activity:1953698, activity:1953702, activity:1953706, activity:1953711, activity:2049240, activity:2060706, activity:2174991, activity:2174995, activity:2174999, activity:2175003, activity:2175007, activity:2175011, activity:2175014, activity:2175018, activity:2175938, activity:2179645, activity:2179657, activity:2191017, activity:2191018, activity:2213740, activity:2213745, activity:2330577, activity:2330581, activity:2333663, activity:2333844, activity:2334892, activity:2334903, activity:2334914, activity:2334925, activity:2334936, activity:2334945, activity:2334956, activity:2334967, activity:2335548, activity:2424947, activity:3067769, activity:3067782, activity:3067795, activity:3067808, activity:3067830, activity:3067831, activity:3067853, activity:3067870, activity:3506318, activity:3506339, activity:3506340, activity:4860349, activity:5152414, activity:5152415, activity:5248538, activity:5248549