|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
|
|
chemicalCompound:standardIn... |
PFTAWBLQPZVEMU-UKRRQHHQSA-N
|
|
chemicalCompound:canonicalS... |
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
|
|
chemicalCompound:molecularF... |
C15H14O6
|
|
chemicalCompound:moleculeId |
571201
|
|
chemicalCompound:mwFreebase |
290.268
|
|
chemicalCompound:alogp |
2.021
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
5
|
|
chemicalCompound:psa |
110.38
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.536
|
|
chemicalCompound:acdLogP |
0.61
|
|
chemicalCompound:acdLogD |
0.599
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
290.268
|
|
chemicalCompound:chemblId |
CHEMBL583912
|
|
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 |
(-)-EPICATECHIN
|
|
chemicalCompound:activity |
activity:362567,
activity:362568,
activity:720532,
activity:720533,
activity:720534,
activity:827482,
activity:827483,
activity:1451488,
activity:1719570,
activity:1719572,
activity:1719573,
activity:1719574,
activity:1719575,
activity:1764851,
activity:1764863,
activity:1939196,
activity:2054483,
activity:2054487,
activity:2054491,
activity:2054492,
activity:2054493,
activity:2054500,
activity:2054504,
activity:2058288,
activity:2063519,
activity:2063532,
activity:2144808,
activity:2144817,
activity:2144824,
activity:2144832,
activity:2144841,
activity:2150739,
activity:2154829,
activity:2178725,
activity:2178727,
activity:2178728,
activity:2178729,
activity:2178730,
activity:2179262,
activity:2180862,
activity:2180872,
activity:2180882,
activity:2184285,
activity:2197074,
activity:2197103,
activity:2197132,
activity:2201142,
activity:2201199,
activity:2201256,
activity:2201313,
activity:2201371,
activity:2283789,
activity:2283800,
activity:2297985,
activity:2298443,
activity:2309633,
activity:2309646,
activity:2317657,
activity:2317673,
activity:2323422,
activity:2328917,
activity:2331836,
activity:2332196,
activity:2332197,
activity:2332198
|
