|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
|
|
chemicalCompound:standardIn... |
HCZKYJDFEPMADG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2
|
|
chemicalCompound:molecularF... |
C18H22O4
|
|
chemicalCompound:moleculeId |
3784
|
|
chemicalCompound:mwFreebase |
302.365
|
|
chemicalCompound:alogp |
4.708
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
80.92
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.558
|
|
chemicalCompound:acdLogP |
3.515
|
|
chemicalCompound:acdLogD |
3.51
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
302.365
|
|
chemicalCompound:chemblId |
CHEMBL52
|
|
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 |
NORDIHYDROGUAIARETIC ACID
|
|
chemicalCompound:activity |
activity:232681,
activity:237165,
activity:237166,
activity:351222,
activity:351223,
activity:351224,
activity:368249,
activity:393132,
activity:447477,
activity:498256,
activity:498257,
activity:498258,
activity:533461,
activity:533462,
activity:580786,
activity:580787,
activity:580788,
activity:609445,
activity:609446,
activity:609447,
activity:620899,
activity:743144,
activity:751911,
activity:835097,
activity:835098,
activity:1066762,
activity:1066763,
activity:1066764,
activity:1066765,
activity:1066766,
activity:1106757,
activity:1106758,
activity:1106759,
activity:1106760,
activity:1177588,
activity:1177589,
activity:1177590,
activity:1177591,
activity:1258520,
activity:1258521,
activity:1258522,
activity:1258523,
activity:1258524,
activity:1274855,
activity:1289704,
activity:1307709,
activity:1307710,
activity:1427928,
activity:1602443,
activity:1602444,
activity:1609284,
activity:1609285,
activity:1609286,
activity:1609287,
activity:1609288,
activity:1609289,
activity:1686925,
activity:1686971,
activity:1686999,
activity:1687072,
activity:1687089,
activity:1687108,
activity:1855114
|
