|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
|
|
chemicalCompound:standardIn... |
FVYXIJYOAGAUQK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O
|
|
chemicalCompound:molecularF... |
C18H18O2
|
|
chemicalCompound:moleculeId |
18078
|
|
chemicalCompound:mwFreebase |
266.334
|
|
chemicalCompound:alogp |
4.88
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
40.46
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.888
|
|
chemicalCompound:acdLogP |
4.56
|
|
chemicalCompound:acdLogD |
4.557
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
266.334
|
|
chemicalCompound:chemblId |
CHEMBL16901
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
HONOKIOL
|
|
chemicalCompound:activity |
activity:702344,
activity:702345,
activity:911298,
activity:911299,
activity:911300,
activity:911301,
activity:911302,
activity:1435271,
activity:1720688,
activity:1720769,
activity:1720770,
activity:1720771,
activity:1720772,
activity:1909808,
activity:1909820,
activity:1909843,
activity:1909844,
activity:1909856,
activity:1909868,
activity:1909880,
activity:1915978,
activity:1915998,
activity:1916018,
activity:1916146,
activity:1916167,
activity:1916190,
activity:1916215,
activity:2060659,
activity:2060668,
activity:2060677,
activity:2311331,
activity:2311335,
activity:2311339,
activity:2311343,
activity:2311347,
activity:2311351,
activity:2311355,
activity:2311359,
activity:2311363,
activity:2311367,
activity:2332994,
activity:2332995,
activity:2332996,
activity:2332997,
activity:2332998,
activity:2332999,
activity:2482040,
activity:2482041,
activity:2482042,
activity:2482043,
activity:2482044,
activity:2482065,
activity:2696442,
activity:2696454,
activity:2696466,
activity:2696479,
activity:2696492,
activity:2696504,
activity:2714283,
activity:2714289,
activity:2714293,
activity:2714295,
activity:2714304,
activity:3398841,
activity:3398842,
activity:3398843
|
