Vobtusine Lactone
FEATURES
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NAMES
  • Vobtusine Lactone
SMILES
COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(C[C@@H]5C[C@]67CC(=O)C[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23
InChI
InChI=1S/C44H50N4O6/c1-52-32-9-5-7-30-33(32)48-24-39(19-26-20-41-21-27(49)18-25(41)10-14-46-16-12-43(30,37(41)46)44(26,48)51)23-47-15-11-42-29-6-3-4-8-31(29)45-34(42)28(35(50)53-2)22-40(36(42)47)13-17-54-38(39)40/h3-9,25-26,36-38,45,51H,10-24H2,1-2H3/t25-,26-,36+,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1
MOLECULAR FORMULA
C44H50N4O6
CROSS REFERENCES
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Vobtusine Lactone
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight730.37
AlogP4.35
HBond donors2
HBond acceptors10
Atoms104
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Vobtusine Lactone.