|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
|
|
chemicalCompound:standardIn... |
SCZVLDHREVKTSH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(ccc1O)C2=CC(=O)c3c(O)cc(O)cc3O2
|
|
chemicalCompound:molecularF... |
C16H12O6
|
|
chemicalCompound:moleculeId |
359735
|
|
chemicalCompound:mwFreebase |
300.263
|
|
chemicalCompound:alogp |
2.394
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
96.22
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.492
|
|
chemicalCompound:acdLogP |
2.229
|
|
chemicalCompound:acdLogD |
1
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
300.263
|
|
chemicalCompound:chemblId |
CHEMBL214321
|
|
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 |
CHRYSOERIOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1770679,
activity:1770682,
activity:1770683,
activity:1770684,
activity:1770687,
activity:1770690,
activity:1770693,
activity:1770695,
activity:1770696,
activity:1949739,
activity:2175729,
activity:2175810,
activity:2198926,
activity:2309904,
activity:2309912,
activity:2309920,
activity:2309924,
activity:2309926,
activity:2309928,
activity:2336565,
activity:2423251,
activity:2423255,
activity:2423726,
activity:2423727,
activity:2423728,
activity:2423729,
activity:2432528,
activity:2432538,
activity:2432544,
activity:2432549,
activity:2432554,
activity:2432559,
activity:2432564,
activity:2432581,
activity:2432586,
activity:2432591,
activity:2432596,
activity:2432601,
activity:2432606,
activity:2432611,
activity:2549178,
activity:2549198,
activity:2692691,
activity:2692696,
activity:2948269,
activity:2948270,
activity:2948370,
activity:2948393,
activity:3232315,
activity:3409853,
activity:3409865,
activity:3409881,
activity:3617371,
activity:3635821,
activity:3770630,
activity:3803904,
activity:3905901,
activity:4012722,
activity:4129346,
activity:4281099,
activity:4333619,
activity:4557707,
activity:4569661,
activity:4888720,
activity:5006947
|
