|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
|
|
chemicalCompound:standardIn... |
IYRMWMYZSQPJKC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
|
|
chemicalCompound:molecularF... |
C15H10O6
|
|
chemicalCompound:moleculeId |
46884
|
|
chemicalCompound:mwFreebase |
286.236
|
|
chemicalCompound:alogp |
1.872
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
107.22
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.341
|
|
chemicalCompound:acdLogP |
2.685
|
|
chemicalCompound:acdLogD |
1.384
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
286.236
|
|
chemicalCompound:chemblId |
CHEMBL150
|
|
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 |
KAEMPFEROL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:133176,
activity:366210,
activity:790229,
activity:790230,
activity:947104,
activity:947105,
activity:1070339,
activity:1220088,
activity:1239369,
activity:1239370,
activity:1504102,
activity:1504103,
activity:1504104,
activity:1655414,
activity:1655416,
activity:1719413,
activity:1719414,
activity:1719415,
activity:1719416,
activity:1719417,
activity:1864232,
activity:1864240,
activity:1864248,
activity:1864253,
activity:1933182,
activity:1933183,
activity:1933263,
activity:1933349,
activity:1933350,
activity:1953669,
activity:1953673,
activity:1953679,
activity:1953680,
activity:1953685,
activity:1953689,
activity:1953693,
activity:1953697,
activity:1953701,
activity:1953705,
activity:1953710,
activity:2054431,
activity:2057038,
activity:2057039,
activity:2057563,
activity:2062263,
activity:2089140,
activity:2174863,
activity:2174881,
activity:2174899,
activity:2175940,
activity:2179640,
activity:2179652,
activity:2196020,
activity:2196044,
activity:2196068,
activity:2196843
|
