|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
|
|
chemicalCompound:standardIn... |
REFJWTPEDVJJIY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
|
|
chemicalCompound:molecularF... |
C15H10O7
|
|
chemicalCompound:moleculeId |
3666
|
|
chemicalCompound:mwFreebase |
302.236
|
|
chemicalCompound:alogp |
1.63
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
5
|
|
chemicalCompound:psa |
127.45
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.312
|
|
chemicalCompound:acdLogP |
1.989
|
|
chemicalCompound:acdLogD |
0.625
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
302.236
|
|
chemicalCompound:chemblId |
CHEMBL50
|
|
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 |
QUERCETIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:59656,
activity:59657,
activity:59658,
activity:99646,
activity:99647,
activity:99648,
activity:99649,
activity:99650,
activity:101430,
activity:194565,
activity:194566,
activity:198793,
activity:198794,
activity:198795,
activity:198796,
activity:198797,
activity:198798,
activity:198799,
activity:198800,
activity:198801,
activity:198802,
activity:247235,
activity:276951,
activity:276952,
activity:276953,
activity:276954,
activity:301511,
activity:354884,
activity:367173,
activity:367174,
activity:367175,
activity:367176,
activity:367177,
activity:367178,
activity:367179,
activity:367180,
activity:367181,
activity:369072,
activity:369073,
activity:369074,
activity:413521,
activity:413522,
activity:413523,
activity:413524,
activity:413525,
activity:413526,
activity:413527,
activity:413528,
activity:483148,
activity:483149,
activity:483150,
activity:490778,
activity:490779,
activity:568846,
activity:568847,
activity:568848,
activity:568849,
activity:568850,
activity:568851,
activity:613045,
activity:663898,
activity:674821,
activity:681093,
activity:681094
|
