|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
|
|
chemicalCompound:standardIn... |
FCDLCPWAQCPTKC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C15H8O6
|
|
chemicalCompound:moleculeId |
61715
|
|
chemicalCompound:mwFreebase |
284.22
|
|
chemicalCompound:alogp |
1.954
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
111.9
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
3.166
|
|
chemicalCompound:acdLogP |
4.29
|
|
chemicalCompound:acdLogD |
0.101
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.22
|
|
chemicalCompound:chemblId |
CHEMBL418068
|
|
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 |
RHEIN
|
|
chemicalCompound:activity |
activity:71060,
activity:549006,
activity:926044,
activity:926045,
activity:926046,
activity:926047,
activity:1049426,
activity:1049427,
activity:1049428,
activity:1676812,
activity:1676816,
activity:1676819,
activity:1676823,
activity:1676827,
activity:1676831,
activity:1868315,
activity:1868338,
activity:2177217,
activity:2177234,
activity:2177251,
activity:2230944,
activity:2230961,
activity:2315394,
activity:3207256,
activity:3207257,
activity:3207273,
activity:3607811,
activity:3618919,
activity:3634624,
activity:3684887,
activity:3693914,
activity:3698684,
activity:3700505,
activity:3712255,
activity:3746415,
activity:3773624,
activity:3773727,
activity:3775645,
activity:3799982,
activity:3877020,
activity:3904825,
activity:3910020,
activity:3919771,
activity:3926338,
activity:3933869,
activity:3950134,
activity:3951397,
activity:3962786,
activity:4012560,
activity:4017037,
activity:4064625,
activity:4115471,
activity:4128792,
activity:4191204,
activity:4193718,
activity:4291520,
activity:4304682,
activity:4338458,
activity:4371413,
activity:4376549,
activity:4415208,
activity:4421064,
activity:4444088,
activity:4518585,
activity:4525672
|
