|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
|
|
chemicalCompound:standardIn... |
JGUZGNYPMHHYRK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
|
|
chemicalCompound:molecularF... |
C16H12O7
|
|
chemicalCompound:moleculeId |
121242
|
|
chemicalCompound:mwFreebase |
316.262
|
|
chemicalCompound:alogp |
1.856
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
116.45
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.149
|
|
chemicalCompound:acdLogP |
2.802
|
|
chemicalCompound:acdLogD |
1.594
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
316.262
|
|
chemicalCompound:chemblId |
CHEMBL312163
|
|
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 |
RHAMNETIN
|
|
chemicalCompound:activity |
activity:972772,
activity:972773,
activity:994143,
activity:2054434,
activity:2176283,
activity:2176294,
activity:2176300,
activity:2176310,
activity:2176316,
activity:2176326,
activity:2176332,
activity:2176342,
activity:2176348,
activity:2328732,
activity:2329863,
activity:2329960,
activity:2335551,
activity:2347299,
activity:2347300,
activity:2413850,
activity:2413861,
activity:2413878,
activity:2413889,
activity:2435416,
activity:2435449,
activity:2435464,
activity:2549177,
activity:2549197,
activity:2672361,
activity:2684618,
activity:2684629,
activity:3129814,
activity:3614479,
activity:3632630,
activity:3667567,
activity:3692045,
activity:3714732,
activity:3746239,
activity:3931734,
activity:3960956,
activity:4004560,
activity:4016025,
activity:4019772,
activity:4062383,
activity:4100954,
activity:4569202,
activity:4573426,
activity:4791291,
activity:4868405,
activity:4993951,
activity:5062822,
activity:5866340,
activity:6196779,
activity:6197420,
activity:6197465,
activity:6197615,
activity:6197640,
activity:6256530,
activity:6256532,
activity:6256534,
activity:6256536,
activity:6256538,
activity:6256540,
activity:6256542,
activity:6256544
|
