|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
|
|
chemicalCompound:standardIn... |
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
|
|
chemicalCompound:molecularF... |
C14H12O3
|
|
chemicalCompound:moleculeId |
103658
|
|
chemicalCompound:mwFreebase |
228.243
|
|
chemicalCompound:alogp |
3.09
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
60.69
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.221
|
|
chemicalCompound:acdLogP |
3.024
|
|
chemicalCompound:acdLogD |
3.017
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
228.243
|
|
chemicalCompound:chemblId |
CHEMBL165
|
|
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 |
RESVERATROL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:123477,
activity:123478,
activity:389463,
activity:661918,
activity:855747,
activity:855748,
activity:855749,
activity:855750,
activity:973886,
activity:991672,
activity:991673,
activity:991674,
activity:991675,
activity:991676,
activity:991677,
activity:991678,
activity:991679,
activity:991680,
activity:991681,
activity:991682,
activity:991683,
activity:991684,
activity:991685,
activity:991686,
activity:991687,
activity:991688,
activity:991689,
activity:1071573,
activity:1412239,
activity:1412240,
activity:1412241,
activity:1419643,
activity:1419644,
activity:1460734,
activity:1610950,
activity:1664636,
activity:1664637,
activity:1673547,
activity:1673550,
activity:1673553,
activity:1673563,
activity:1713992,
activity:1714014,
activity:1714036,
activity:1714058,
activity:1714080,
activity:1714102,
activity:1714140,
activity:1714142,
activity:1714144,
activity:1725974,
activity:1725985,
activity:1759872,
activity:1759878,
activity:1759894,
activity:1759901,
activity:1759913,
activity:1759927,
activity:1782921,
activity:1782922,
activity:1782923,
activity:1782926,
activity:1782994
|
