|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
|
|
chemicalCompound:standardIn... |
YRRAGUMVDQQZIY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC1=C(Oc2c(O)c(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
|
|
chemicalCompound:molecularF... |
C15H10O8
|
|
chemicalCompound:moleculeId |
419694
|
|
chemicalCompound:mwFreebase |
318.235
|
|
chemicalCompound:alogp |
1.388
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
6
|
|
chemicalCompound:psa |
147.68
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.466
|
|
chemicalCompound:acdLogP |
1.01
|
|
chemicalCompound:acdLogD |
-0.176
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
318.235
|
|
chemicalCompound:chemblId |
CHEMBL253570
|
|
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 |
GOSSYPETIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2057559,
activity:2482297,
activity:2549233,
activity:2549247,
activity:3067770,
activity:3067783,
activity:3067796,
activity:3067809,
activity:3067834,
activity:3067836,
activity:3067855,
activity:3067869,
activity:3416918,
activity:3416942,
activity:3743722,
activity:3799169,
activity:3965673,
activity:4063755,
activity:4193551,
activity:4411233,
activity:4468773,
activity:4528682,
activity:4571174,
activity:4599802,
activity:4777132,
activity:4824347,
activity:4857115,
activity:6196780,
activity:6197421,
activity:6197466,
activity:6197614,
activity:6277345,
activity:6355376,
activity:6431810,
activity:7059737,
activity:7551238
|
