|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
|
|
chemicalCompound:standardIn... |
FTVWIRXFELQLPI-ZDUSSCGKSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2
|
|
chemicalCompound:molecularF... |
C15H12O5
|
|
chemicalCompound:moleculeId |
5170
|
|
chemicalCompound:mwFreebase |
272.253
|
|
chemicalCompound:alogp |
2.373
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
86.99
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.516
|
|
chemicalCompound:acdLogP |
2.628
|
|
chemicalCompound:acdLogD |
2.231
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
272.253
|
|
chemicalCompound:chemblId |
CHEMBL9352
|
|
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 |
NARINGENIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:860773,
activity:1143402,
activity:1143403,
activity:1143404,
activity:1143405,
activity:1152100,
activity:1503836,
activity:1503837,
activity:1719488,
activity:1719489,
activity:1719490,
activity:1719491,
activity:1719492,
activity:1796021,
activity:1796034,
activity:1796047,
activity:1933194,
activity:1933212,
activity:1933295,
activity:1933296,
activity:2043598,
activity:2058214,
activity:2058215,
activity:2058216,
activity:2058257,
activity:2058258,
activity:2063521,
activity:2063534,
activity:2071331,
activity:2155664,
activity:2155672,
activity:2174859,
activity:2174877,
activity:2174895,
activity:2174926,
activity:2184210,
activity:2184231,
activity:2184248,
activity:2192032,
activity:2192037,
activity:2192042,
activity:2192047,
activity:2192054,
activity:2192076,
activity:2192077,
activity:2192078,
activity:2192079,
activity:2192080,
activity:2192081,
activity:2192082,
activity:2196837,
activity:2196839,
activity:2197080,
activity:2197109,
activity:2197138,
activity:2201708,
activity:2202702,
activity:2213755,
activity:2232295,
activity:2232296,
activity:2232297,
activity:2232298,
activity:2232317,
activity:2232318
|
