|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H16O5/c1-8-4-11-13(19)6-10(17)7-15(11)21-16(8)9-2-3-12(18)14(20)5-9/h2-3,5-8,16-20H,4H2,1H3/t8-,16-/m0/s1
|
|
chemicalCompound:standardIn... |
WTOWZADSSKQQQE-PWJLMRLQSA-N
|
|
chemicalCompound:canonicalS... |
C[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
|
|
chemicalCompound:molecularF... |
C16 H16 O5
|
|
chemicalCompound:moleculeId |
421349
|
|
chemicalCompound:mwFreebase |
288.295
|
|
chemicalCompound:alogp |
3.307
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
90.15
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.536
|
|
chemicalCompound:acdLogP |
1.338
|
|
chemicalCompound:acdLogD |
1.328
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
288.295
|
|
chemicalCompound:chemblId |
CHEMBL251445
|
|
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 |
(+)-CATECHIN
|
|
chemicalCompound:activity |
activity:836972,
activity:836973,
activity:1661407,
activity:1661418,
activity:1661429,
activity:1719591,
activity:1719592,
activity:1719593,
activity:1719594,
activity:1719595,
activity:2058226,
activity:2058227,
activity:2058228,
activity:2058264,
activity:2058265,
activity:2058286,
activity:2060567,
activity:2060577,
activity:2177951,
activity:2177952,
activity:2177953,
activity:2177954,
activity:2178864,
activity:2178872,
activity:2178874,
activity:2201143,
activity:2201200,
activity:2201257,
activity:2201314,
activity:2201372,
activity:2309634,
activity:2309647,
activity:2323393,
activity:2323394,
activity:2328920,
activity:2331688,
activity:2331692,
activity:2331695,
activity:2331699,
activity:2331705,
activity:2331710,
activity:2331729,
activity:2331835,
activity:2332636,
activity:2332869,
activity:2424882,
activity:2424885,
activity:2428799,
activity:2428802,
activity:2428812,
activity:2428943,
activity:2429561,
activity:2429567,
activity:2429574,
activity:2429579,
activity:2429585,
activity:2429590,
activity:2439049,
activity:2439083,
activity:2439117,
activity:2443317,
activity:2443326,
activity:2534439,
activity:2534685,
activity:2534686
|
