Pectenotoxin Ii
FEATURES
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NAMES
  • Pectenotoxin Ii
SMILES
C/C1=C\[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@](C)(CC2=O)[C@@H](O)[C@@H]2CC[C@@]4(CCC[C@H](O4)[C@@H](C)C(=O)O[C@@H]4C[C@@H]([C@@]5(O)OCC[C@@H](C)[C@H]5O)O[C@@H]4/C=C/1)O2)O3
InChI
InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43-,44+,45+,46-,47+/m0/s1
MOLECULAR FORMULA
C47H70O14
CROSS REFERENCES
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Pectenotoxin Ii
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight858.48
AlogP5.25
HBond donors3
HBond acceptors14
Atoms131
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Pectenotoxin Ii.