|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
|
|
chemicalCompound:standardIn... |
ZIIAJIWLQUVGHB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc2OC(=CC(=O)c2c(O)c1OC)c3ccc(O)cc3
|
|
chemicalCompound:molecularF... |
C17H14O6
|
|
chemicalCompound:moleculeId |
247805
|
|
chemicalCompound:mwFreebase |
314.289
|
|
chemicalCompound:alogp |
2.619
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
85.22
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.343
|
|
chemicalCompound:acdLogP |
2.747
|
|
chemicalCompound:acdLogD |
1.654
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
314.289
|
|
chemicalCompound:chemblId |
CHEMBL348436
|
|
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 |
CIRSIMARITIN
|
|
chemicalCompound:activity |
activity:960509,
activity:960510,
activity:960511,
activity:1063562,
activity:1063563,
activity:1063564,
activity:1719541,
activity:1719542,
activity:1719543,
activity:1719544,
activity:1719545,
activity:2175722,
activity:2252374,
activity:2309903,
activity:2309911,
activity:2309919,
activity:2309923,
activity:2309925,
activity:2309927,
activity:2320394,
activity:2323388,
activity:2323389,
activity:2334609,
activity:2334610,
activity:2334611,
activity:2334612,
activity:2334613,
activity:2334614,
activity:2334628,
activity:2334629,
activity:2334630,
activity:2334631,
activity:2334632,
activity:2334633,
activity:2425066,
activity:2425085,
activity:2575740,
activity:3731748,
activity:3817014,
activity:3967522,
activity:4052361,
activity:4903344,
activity:5071006,
activity:5342783,
activity:5669936,
activity:5839555,
activity:5954267,
activity:6670180,
activity:6863710,
activity:6959665,
activity:7055214,
activity:7372896
|
