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Gene Set: D4 : CTD - benzoylaconine


Collection D4 : CTD
Chemical Name benzoylaconine ( From PubChem : BENZOYLACONITINE )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
603.7 g/mol 4 11 0.0152 False(2/4)
Structure
InChI InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1
InChIKey DHJXZSFKLJCHLH-YXAOWBTQSA-N
Links

Gene (2 / 5)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
CTDincreases(transport)ABCB1
C047307
CTDdecreases(activity)ABCB1
C047307
CTDdecreases(transport)ABCB1
C047307
CTDdecreases(activity)ABCC2
C047307
CTDdecreases(transport)ABCC2
C047307
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