288587

Source:http://linkedlifedata.com/resource/chembl/compound/288587

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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:288587_Secoisolariciresinol_OTHER
chemicalCompound:standardIn...	InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
chemicalCompound:standardIn...	PUETUDUXMCLALY-HOTGVXAUSA-N
chemicalCompound:canonicalS...	COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O
chemicalCompound:molecularF...	C20H26O6
chemicalCompound:moleculeId	288587
chemicalCompound:mwFreebase	362.417
chemicalCompound:alogp	2.843
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	99.38
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.808
chemicalCompound:acdLogP	1.042
chemicalCompound:acdLogD	1.04
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.417
chemicalCompound:chemblId	CHEMBL368347
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:388587
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	(+)-SECOISOLARICIRESINOL
chemicalCompound:activity	activity:2434124, activity:2434144, activity:2434164, activity:2434185, activity:2435228, activity:5201909, activity:5201922, activity:7847904, activity:7847911, activity:7847918, activity:7847925, activity:7847932