466669

Source:http://linkedlifedata.com/resource/chembl/compound/466669

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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:466669_PENICITRINOL B_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C24H28O6/c1-9-13(5)28-22-18-16(8-15(25)11(3)17(9)18)29-23-19(22)21(26)12(4)20-10(2)14(6)30-24(20,23)27-7/h8-10,13-14,22,25H,1-7H3/t9-,10-,13-,14-,22-,24-/m1/s1
chemicalCompound:standardIn...	YWUROUQKOJZPEJ-ZPLCETTNSA-N
chemicalCompound:canonicalS...	CO[C@]12O[C@H](C)[C@H](C)C1=C(C)C(=O)C3=C2Oc4cc(O)c(C)c5[C@H](C)[C@@H](C)O[C@H]3c45
chemicalCompound:molecularF...	C24H28O6
chemicalCompound:moleculeId	466669
chemicalCompound:mwFreebase	412.476
chemicalCompound:alogp	3.732
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	74.22
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.442
chemicalCompound:acdLogP	4.503
chemicalCompound:acdLogD	4.499
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	412.476
chemicalCompound:chemblId	CHEMBL458573
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566669
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	PENICITRINOL B
chemicalCompound:activity	activity:2212654, activity:2212655, activity:2212656, activity:2212657, activity:2212671, activity:6347364, activity:6347380, activity:6347396