|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
|
|
chemicalCompound:standardIn... |
GPZYYYGYCRFPBU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C15H10O3
|
|
chemicalCompound:moleculeId |
226243
|
|
chemicalCompound:mwFreebase |
238.238
|
|
chemicalCompound:alogp |
2.894
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.53
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.982
|
|
chemicalCompound:acdLogP |
4.445
|
|
chemicalCompound:acdLogD |
4.434
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
238.238
|
|
chemicalCompound:chemblId |
CHEMBL138649
|
|
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 |
6-HYDROXYFLAVONE
|
|
chemicalCompound:activity |
activity:676571,
activity:676572,
activity:1244160,
activity:1605668,
activity:1719181,
activity:1719221,
activity:1719223,
activity:1719263,
activity:1719379,
activity:2046478,
activity:2046527,
activity:2046616,
activity:2046643,
activity:2252365,
activity:2328532,
activity:2328651,
activity:2328702,
activity:2328791,
activity:2423119,
activity:2423120,
activity:2423121,
activity:2714974,
activity:2714991,
activity:2715037,
activity:2715061,
activity:2715420,
activity:2715421,
activity:3129807,
activity:3129898,
activity:3334200,
activity:3334207,
activity:3334214,
activity:3334221,
activity:3334228,
activity:3334235,
activity:3334242,
activity:3335366,
activity:3335373,
activity:3335380,
activity:3335387,
activity:3335394,
activity:3335401,
activity:3381314,
activity:3381315,
activity:3471168,
activity:3817430,
activity:3846295,
activity:4038155,
activity:4448566,
activity:4712579,
activity:4891545,
activity:5129656,
activity:5129665,
activity:5129674,
activity:5130804,
activity:5130813,
activity:5130822,
activity:5130831,
activity:5130837,
activity:5130841,
activity:5130842,
activity:5130846,
activity:5552845,
activity:5652384,
activity:5897591
|
