|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
|
|
chemicalCompound:standardIn... |
AFSDNFLWKVMVRB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34
|
|
chemicalCompound:molecularF... |
C14H6O8
|
|
chemicalCompound:moleculeId |
148
|
|
chemicalCompound:mwFreebase |
302.193
|
|
chemicalCompound:alogp |
1.584
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
133.52
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
5.017
|
|
chemicalCompound:acdLogP |
0.239
|
|
chemicalCompound:acdLogD |
-3.381
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
302.193
|
|
chemicalCompound:chemblId |
CHEMBL6246
|
|
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 |
ELLAGIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:63656,
activity:104220,
activity:800992,
activity:800993,
activity:800994,
activity:800995,
activity:800996,
activity:800997,
activity:800998,
activity:800999,
activity:801000,
activity:801001,
activity:801002,
activity:801003,
activity:801004,
activity:801005,
activity:801006,
activity:801007,
activity:801008,
activity:801009,
activity:801010,
activity:801011,
activity:801012,
activity:801013,
activity:801014,
activity:801015,
activity:1151061,
activity:1151062,
activity:1151063,
activity:1151064,
activity:1151065,
activity:1151066,
activity:1151067,
activity:1151068,
activity:1151069,
activity:1151070,
activity:1151071,
activity:1151072,
activity:1404268,
activity:1701835,
activity:1701836,
activity:1701837,
activity:1701838,
activity:1701839,
activity:1701840,
activity:1701841,
activity:1701842,
activity:1701843,
activity:1701844,
activity:1701845,
activity:1701846,
activity:1701847,
activity:1701848,
activity:1701849,
activity:1701850,
activity:1701851,
activity:1712848,
activity:1857718,
activity:2055825,
activity:2107141,
activity:2155893,
activity:2155923,
activity:2155958,
activity:2155988
|
