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Gene Set: D4 : CTD - benzoylmesaconine


Collection D4 : CTD
Chemical Name benzoylmesaconine ( From PubChem : BENZOYLMESACONITINE )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
589.674 g/mol 4 11 -0.3749 False(2/4)
Structure
InChI InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18+,19-,20-,21-,22+,23+,24-,25+,26-,28-,29-,30-,31+/m0/s1
InChIKey PULWZCUZNRVAHT-NBWBWWALSA-N
Links

Gene (2 / 5)


⊖ Less

Source Type Unit Value Gene PMID Assay Other
CTDincreases(transport)ABCB1
C085283
CTDdecreases(activity)ABCB1
C085283
CTDdecreases(transport)ABCB1
C085283
CTDdecreases(activity)ABCC2
C085283
CTDdecreases(transport)ABCC2
C085283
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