481406

Source:http://linkedlifedata.com/resource/chembl/compound/481406

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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:481406_6-HYDROXYPUNCTAPORONIN B_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C15H24O4/c1-13(2)7-11-10(9-16)5-4-6-14(3,18)8-12(17)15(11,13)19/h4-6,11-12,16-19H,7-9H2,1-3H3/b6-4-,10-5-/t11-,12+,14-,15-/m1/s1
chemicalCompound:standardIn...	BGSGZHXKGLGBSY-KFWKSHACSA-N
chemicalCompound:canonicalS...	C[C@]1(O)C[C@H](O)[C@]2(O)[C@H](CC2(C)C)\C(=C/C=C\1)\CO
chemicalCompound:molecularF...	C15H24O4
chemicalCompound:moleculeId	481406
chemicalCompound:mwFreebase	268.349
chemicalCompound:alogp	0.16
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	80.92
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.858
chemicalCompound:acdLogP	0.282
chemicalCompound:acdLogD	0.282
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	268.349
chemicalCompound:chemblId	CHEMBL520281
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:581406
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	6-HYDROXYPUNCTAPORONIN B
chemicalCompound:activity	activity:2538396, activity:2538398, activity:2538400, activity:2538402, activity:2538404, activity:2538406