462700

Source:http://linkedlifedata.com/resource/chembl/compound/462700

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H24O11/c1-30-15-8-14-17(19(27)22(15)31-2)12(25)7-13(33-14)10-3-5-11(6-4-10)32-23-21(29)20(28)18(26)16(9-24)34-23/h3-8,16,18,20-21,23-24,26-29H,9H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1
chemicalCompound:standardIn...	RETJLKUBHXTIGH-FZFRBNDOSA-N
chemicalCompound:canonicalS...	COc1cc2OC(=CC(=O)c2c(O)c1OC)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3
chemicalCompound:molecularF...	C23H24O11
chemicalCompound:moleculeId	462700
chemicalCompound:mwFreebase	476.43
chemicalCompound:alogp	0.689
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	164.37
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.326
chemicalCompound:acdLogP	1.049
chemicalCompound:acdLogD	-0.058
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	476.43
chemicalCompound:chemblId	CHEMBL517637
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:562700
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	CIRSIMARIN
chemicalCompound:activity	activity:2175723, activity:2320391, activity:2320392, activity:2320393, activity:2332856, activity:2332889