|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
|
|
chemicalCompound:standardIn... |
MRIAQLRQZPPODS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2
|
|
chemicalCompound:molecularF... |
C21H22O8
|
|
chemicalCompound:moleculeId |
121290
|
|
chemicalCompound:mwFreebase |
402.395
|
|
chemicalCompound:alogp |
3.038
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
81.68
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.598
|
|
chemicalCompound:acdLogD |
1.598
|
|
chemicalCompound:fullMwt |
402.395
|
|
chemicalCompound:chemblId |
CHEMBL76447
|
|
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 |
NOBILETIN
|
|
chemicalCompound:activity |
activity:989544,
activity:1878302,
activity:1878303,
activity:1878345,
activity:2040935,
activity:2040936,
activity:2040937,
activity:2142700,
activity:2142701,
activity:2142702,
activity:2142703,
activity:2142704,
activity:2176253,
activity:2176266,
activity:2176285,
activity:2262961,
activity:2262972,
activity:2328559,
activity:2328660,
activity:2328796,
activity:2331412,
activity:2332866,
activity:2332899,
activity:2430935,
activity:2430937,
activity:2430939,
activity:2430941,
activity:2549192,
activity:2651553,
activity:2651555,
activity:2651556,
activity:2651557,
activity:2651558,
activity:2651559,
activity:2651560,
activity:2651561,
activity:2651562,
activity:3689892,
activity:3706566,
activity:3720241,
activity:3730275,
activity:3986777,
activity:3999951,
activity:4026086,
activity:4142771,
activity:4155113,
activity:4349672,
activity:4372525,
activity:4383036,
activity:4542002,
activity:4552369,
activity:4580656,
activity:4695049,
activity:4729641,
activity:4784728,
activity:4802173,
activity:4973587,
activity:5038848,
activity:5234845,
activity:5234876,
activity:5250896,
activity:5250929,
activity:5251002,
activity:5416653,
activity:5517320,
activity:5624293,
activity:5712006
|
