|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
|
|
chemicalCompound:standardIn... |
KSEBMYQBYZTDHS-HWKANZROSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(\C=C\C(=O)O)ccc1O
|
|
chemicalCompound:molecularF... |
C10H10O4
|
|
chemicalCompound:moleculeId |
47409
|
|
chemicalCompound:mwFreebase |
194.184
|
|
chemicalCompound:alogp |
1.669
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
66.76
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.581
|
|
chemicalCompound:acdLogP |
0.963
|
|
chemicalCompound:acdLogD |
-2.099
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
194.184
|
|
chemicalCompound:chemblId |
CHEMBL32749
|
|
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 |
FERULIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:597877,
activity:597878,
activity:1033157,
activity:1707276,
activity:1949999,
activity:2034960,
activity:2043610,
activity:2064829,
activity:2165691,
activity:2202704,
activity:2217790,
activity:2283791,
activity:2292960,
activity:2292969,
activity:2292978,
activity:2297981,
activity:2298452,
activity:2330330,
activity:2330331,
activity:2434398,
activity:2481530,
activity:2487515,
activity:2535847,
activity:2573869,
activity:2577017,
activity:2577026,
activity:2577035,
activity:2577044,
activity:2577053,
activity:2577062,
activity:2998008,
activity:3116732,
activity:3116733,
activity:3116734,
activity:3116735,
activity:3116736,
activity:3116737,
activity:3116738,
activity:3116739,
activity:3116740,
activity:3116741,
activity:3116742,
activity:3116743,
activity:3119794,
activity:3119825,
activity:3254880,
activity:3254964,
activity:3269214,
activity:3270768,
activity:3366115,
activity:3407333,
activity:3407370,
activity:3720002,
activity:5202387,
activity:5202399,
activity:6160077,
activity:6160096,
activity:6164680,
activity:6164681,
activity:6164682,
activity:6164683,
activity:6164684,
activity:6166839,
activity:6178578
|
