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Deguelin
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NAMES
  • Deguelin
SMILES
COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4
InChI
InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
MOLECULAR FORMULA
C23H22O6
CROSS REFERENCES
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Deguelin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 394.14
AlogP 4.01
HBond donors 0
HBond acceptors 6
Atoms 51
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Deguelin.