|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
|
|
chemicalCompound:standardIn... |
YDQWDHRMZQUTBA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C15H10O5
|
|
chemicalCompound:moleculeId |
61756
|
|
chemicalCompound:mwFreebase |
270.237
|
|
chemicalCompound:alogp |
1.719
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
94.83
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.302
|
|
chemicalCompound:acdLogP |
3.254
|
|
chemicalCompound:acdLogD |
1.519
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
270.237
|
|
chemicalCompound:chemblId |
CHEMBL40275
|
|
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 |
ALOE-EMODIN
|
|
chemicalCompound:activity |
activity:41884,
activity:924563,
activity:924564,
activity:924565,
activity:924566,
activity:977558,
activity:977559,
activity:1051897,
activity:1051898,
activity:1051899,
activity:1676813,
activity:1676817,
activity:1676820,
activity:1676824,
activity:1676828,
activity:1676832,
activity:1676848,
activity:1867974,
activity:1868310,
activity:2177216,
activity:2177233,
activity:2177250,
activity:2230945,
activity:2230962,
activity:2440069,
activity:2440072,
activity:2450385,
activity:2627036,
activity:2627050,
activity:3618160,
activity:5137327,
activity:5137339,
activity:5566848,
activity:5663535,
activity:5963611,
activity:5977690,
activity:6469787,
activity:6558762,
activity:6725742,
activity:6876165,
activity:6885657,
activity:7048714,
activity:7062830,
activity:7205829,
activity:8272485,
activity:8322168,
activity:8332969,
activity:8445087,
activity:8495802,
activity:8594482,
activity:8610325,
activity:8678205,
activity:8726615,
activity:8818940,
activity:8921841,
activity:8989499,
activity:9018510,
activity:9024882,
activity:9095555,
activity:9115525,
activity:9206785,
activity:9239929,
activity:9241695,
activity:9303988,
activity:9314608
|
