Jasplakinolide D
FEATURES
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NAMES
  • Jasplakinolide D
SMILES
CC[C@@H]1NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O
InChI
InChI=1S/C37H47BrN4O6/c1-7-29-37(47)42(6)32(19-28-27-10-8-9-11-30(27)39-34(28)38)36(46)41-31(25-12-14-26(43)15-13-25)20-33(44)48-24(5)18-22(3)16-21(2)17-23(4)35(45)40-29/h8-16,22-24,29,31-32,39,43H,7,17-20H2,1-6H3,(H,40,45)(H,41,46)/b21-16+/t22-,23-,24-,29-,31+,32+/m0/s1
MOLECULAR FORMULA
C37H47BrN4O6
CROSS REFERENCES
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Jasplakinolide D
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight722.27
AlogP6.09
HBond donors4
HBond acceptors10
Atoms95
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Jasplakinolide D.