|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
|
|
chemicalCompound:standardIn... |
ULSUXBXHSYSGDT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2
|
|
chemicalCompound:molecularF... |
C20H20O7
|
|
chemicalCompound:moleculeId |
121732
|
|
chemicalCompound:mwFreebase |
372.369
|
|
chemicalCompound:alogp |
3.054
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
72.45
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.788
|
|
chemicalCompound:acdLogD |
1.788
|
|
chemicalCompound:fullMwt |
372.369
|
|
chemicalCompound:chemblId |
CHEMBL73930
|
|
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 |
TANGERETIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1001527,
activity:1878310,
activity:1878324,
activity:1878337,
activity:2054442,
activity:2142705,
activity:2176252,
activity:2176265,
activity:2176284,
activity:2247768,
activity:2262970,
activity:2328555,
activity:2328688,
activity:2328689,
activity:2328717,
activity:2329842,
activity:2329954,
activity:2332867,
activity:2332900,
activity:2335560,
activity:2425069,
activity:2425088,
activity:2549194,
activity:2625909,
activity:2625933,
activity:3471176,
activity:3777372,
activity:4005765,
activity:4173468,
activity:4577938,
activity:4977642,
activity:5042875,
activity:5234843,
activity:5234874,
activity:5250894,
activity:5250927,
activity:5250950,
activity:5250966,
activity:5251000,
activity:6632893,
activity:7546223,
activity:7971234,
activity:7971252,
activity:7971268,
activity:8227692,
activity:8234884,
activity:8348681,
activity:8363802,
activity:8382613,
activity:8394129,
activity:8442479,
activity:8484336,
activity:8553874,
activity:8569296,
activity:8645852,
activity:8705901,
activity:8721773,
activity:8746046,
activity:8752941,
activity:8816351,
activity:8854593,
activity:8881290,
activity:8906152,
activity:8949155,
activity:9030316,
activity:9049494
|
