|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
|
|
chemicalCompound:standardIn... |
WUADCCWRTIWANL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
|
|
chemicalCompound:molecularF... |
C16H12O5
|
|
chemicalCompound:moleculeId |
220354
|
|
chemicalCompound:mwFreebase |
284.263
|
|
chemicalCompound:alogp |
2.366
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
75.99
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.496
|
|
chemicalCompound:acdLogP |
3.341
|
|
chemicalCompound:acdLogD |
2.114
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.263
|
|
chemicalCompound:chemblId |
CHEMBL131921
|
|
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 |
BIOCHANIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:667267,
activity:667268,
activity:667269,
activity:667270,
activity:667271,
activity:667272,
activity:667273,
activity:667274,
activity:667275,
activity:667276,
activity:667277,
activity:667278,
activity:667279,
activity:1463462,
activity:1463463,
activity:1463464,
activity:1483243,
activity:1483244,
activity:1483245,
activity:1655429,
activity:1655430,
activity:1719561,
activity:1719562,
activity:1719563,
activity:1719565,
activity:1719566,
activity:1933191,
activity:1933248,
activity:1933289,
activity:1933290,
activity:2071345,
activity:2176247,
activity:2176259,
activity:2176276,
activity:2176874,
activity:2176875,
activity:2179248,
activity:2185618,
activity:2185619,
activity:2197162,
activity:2197164,
activity:2197166,
activity:2202743,
activity:2329935,
activity:2337581,
activity:2337624,
activity:2337667,
activity:2337710,
activity:2337753,
activity:2337796,
activity:2357337,
activity:2393839,
activity:2393853,
activity:2393867,
activity:2393881,
activity:2393895,
activity:2393909,
activity:2393916,
activity:2393928,
activity:2393929,
activity:2423404,
activity:2434395,
activity:2440569,
activity:2440583
|
