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Wilfornine J
FEATURES
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NAMES
  • Wilfordinine J
  • WILFORNINE J
SMILES
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2O)[C@]4(C)O
InChI
InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(50-19(5)40)27(43)35(14-47-17(3)38)30(52-21(7)42)25(49-18(4)39)24-28(51-20(6)41)36(35,34(29,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25-,26-,27+,28-,29+,30-,33+,34+,35+,36+/m1/s1
MOLECULAR FORMULA
C36H45NO17
CROSS REFERENCES
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Wilfornine J

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 763.27
AlogP 0.46
HBond donors 2
HBond acceptors 18
Atoms 99
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Wilfornine J.