|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
|
|
chemicalCompound:standardIn... |
XLTFNNCXVBYBSX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H12O5
|
|
chemicalCompound:moleculeId |
17852
|
|
chemicalCompound:mwFreebase |
284.263
|
|
chemicalCompound:alogp |
2.636
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
75.99
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.827
|
|
chemicalCompound:acdLogP |
2.244
|
|
chemicalCompound:acdLogD |
1.319
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.263
|
|
chemicalCompound:chemblId |
CHEMBL16171
|
|
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 |
WOGONIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:296935,
activity:683066,
activity:701047,
activity:701048,
activity:2175740,
activity:2175799,
activity:2252364,
activity:2272679,
activity:2272685,
activity:2272705,
activity:2320448,
activity:2321441,
activity:2324537,
activity:2432831,
activity:2694401,
activity:2694416,
activity:2694436,
activity:2694451,
activity:2694466,
activity:2694481,
activity:2694496,
activity:2694501,
activity:2694513,
activity:2694529,
activity:2694536,
activity:2694539,
activity:3256942,
activity:5413749,
activity:5531027,
activity:5555509,
activity:5621078,
activity:6197389,
activity:6197434,
activity:6197479,
activity:6197601,
activity:6822484,
activity:6984404,
activity:7206920,
activity:8002395,
activity:8003016,
activity:8234160,
activity:8262562,
activity:8365750,
activity:8402213,
activity:8439335,
activity:8459827,
activity:8492676,
activity:8548875,
activity:8573421,
activity:8625365,
activity:8627211,
activity:8655116,
activity:8743501,
activity:8843055,
activity:8845056,
activity:8885033,
activity:8896508,
activity:8939776,
activity:8955707,
activity:9051565,
activity:9090150,
activity:9145376,
activity:9181445,
activity:9223877,
activity:9260787
|
