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Tomatidine
FEATURES
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NAMES
  • Tomatidine
SMILES
C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChI
InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
MOLECULAR FORMULA
C27H45NO2
CROSS REFERENCES
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Tomatidine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 415.35
AlogP 5.37
HBond donors 2
HBond acceptors 3
Atoms 75
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Tomatidine.