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Gene Set: D4 : CTD - brevetoxin


Collection D4 : CTD
Chemical Name brevetoxin ( From PubChem : PTYCHODISCUS BREVIS TOXIN )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
853.046 g/mol 1 13 5.5606 False(1/4)
Structure
InChI InChI=1S/C48H68O13/c1-25-16-36-41(22-45(51)58-36)57-44-21-40-42(61-48(44,4)23-25)17-27(3)46-35(56-40)10-6-5-9-30-33(59-46)13-7-12-32-31(53-30)11-8-14-34-37(54-32)19-39-38(55-34)20-43-47(60-39)29(50)18-28(52-43)15-26(2)24-49/h5-7,12,24-25,27-44,46-47,50H,2,8-11,13-23H2,1,3-4H3/b6-5-,12-7-/t25-,27+,28-,29+,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,46?,47?,48-/m1/s1
InChIKey NQICGQXVXIAURW-PGQPCVRWSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
CTDincreases(activity)CASP8
C053342
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