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Gelsemoxonine
FEATURES
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NAMES
  • Gelsemoxonine
SMILES
CCC(=O)[C@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5ccccc54)[C@H](OC[C@H]31)[C@@H]2O
InChI
InChI=1S/C19H22N2O5/c1-3-14(22)19-11-9-26-16(15(19)23)18(8-12(11)20-19)10-6-4-5-7-13(10)21(25-2)17(18)24/h4-7,11-12,15-16,20,23H,3,8-9H2,1-2H3/t11-,12+,15+,16-,18+,19-/m1/s1
MOLECULAR FORMULA
C19H22N2O5
CROSS REFERENCES
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Gelsemoxonine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 358.15
AlogP 0.30
HBond donors 2
HBond acceptors 7
Atoms 48
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 Gelsemoxonine.