|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
|
|
chemicalCompound:standardIn... |
TZBJGXHYKVUXJN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
|
|
chemicalCompound:molecularF... |
C15H10O5
|
|
chemicalCompound:moleculeId |
2658
|
|
chemicalCompound:mwFreebase |
270.237
|
|
chemicalCompound:alogp |
2.14
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
86.99
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.514
|
|
chemicalCompound:acdLogP |
3.114
|
|
chemicalCompound:acdLogD |
1.932
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
270.237
|
|
chemicalCompound:chemblId |
CHEMBL44
|
|
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 |
GENISTEIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:124325,
activity:196362,
activity:196363,
activity:196364,
activity:196365,
activity:196366,
activity:196367,
activity:200123,
activity:200124,
activity:200125,
activity:200126,
activity:200127,
activity:218324,
activity:218325,
activity:218326,
activity:218327,
activity:218328,
activity:230781,
activity:230782,
activity:478718,
activity:488438,
activity:488439,
activity:563458,
activity:563459,
activity:563460,
activity:563461,
activity:609241,
activity:609242,
activity:609243,
activity:609244,
activity:609245,
activity:609246,
activity:641849,
activity:641850,
activity:641851,
activity:641852,
activity:641853,
activity:641854,
activity:641855,
activity:641856,
activity:641857,
activity:641858,
activity:641859,
activity:641860,
activity:641861,
activity:713417,
activity:713418,
activity:713419,
activity:768008,
activity:768009,
activity:768010,
activity:768011,
activity:768012,
activity:768013,
activity:768014,
activity:768015,
activity:768016,
activity:854643,
activity:854644,
activity:854645,
activity:1028698,
activity:1028699,
activity:1028700,
activity:1028701
|
