Monocrotaline
FEATURES
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NAMES
  • Monocrotaline
SMILES
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
InChI
InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
MOLECULAR FORMULA
C16H23NO6
CROSS REFERENCES
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Monocrotaline
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight325.15
AlogP-0.39
HBond donors2
HBond acceptors7
Atoms46
Contains toxicophoreNo
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Monocrotaline.