|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
|
|
chemicalCompound:standardIn... |
QAIPRVGONGVQAS-DUXPYHPUSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)\C=C\c1ccc(O)c(O)c1
|
|
chemicalCompound:molecularF... |
C9H8O4
|
|
chemicalCompound:moleculeId |
37812
|
|
chemicalCompound:mwFreebase |
180.157
|
|
chemicalCompound:alogp |
1.443
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
77.76
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
4.581
|
|
chemicalCompound:acdLogP |
0.663
|
|
chemicalCompound:acdLogD |
-2.429
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
180.157
|
|
chemicalCompound:chemblId |
CHEMBL145
|
|
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 |
CAFFEIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:49992,
activity:49993,
activity:62300,
activity:81278,
activity:582444,
activity:582445,
activity:582446,
activity:816661,
activity:816662,
activity:863254,
activity:863255,
activity:972850,
activity:972851,
activity:972852,
activity:1030712,
activity:1179543,
activity:1239908,
activity:1430917,
activity:1430918,
activity:1602442,
activity:1609410,
activity:1609411,
activity:1609412,
activity:1671571,
activity:1671590,
activity:1671613,
activity:1686972,
activity:1687053,
activity:1687073,
activity:1687090,
activity:1707277,
activity:1710162,
activity:1710167,
activity:1710172,
activity:1806043,
activity:1806050,
activity:1806053,
activity:1809249,
activity:1856324,
activity:1856336,
activity:1877997,
activity:1878001,
activity:1878005,
activity:1888112,
activity:1888119,
activity:1971839,
activity:1998451,
activity:1998480,
activity:2005323,
activity:2005329,
activity:2005335,
activity:2028184,
activity:2028191,
activity:2043604,
activity:2090889,
activity:2174933,
activity:2174939,
activity:2174945,
activity:2174951,
activity:2174957,
activity:2174963,
activity:2174969,
activity:2174975
|
