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Calotropagenin
FEATURES
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NAMES
  • Calotropagenin
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@H](O)C[C@@]43C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
InChI
InChI=1S/C23H32O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16-,17+,18+,19+,21+,22+,23-/m0/s1
MOLECULAR FORMULA
C23H32O6
CROSS REFERENCES
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Calotropagenin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 404.22
AlogP 1.75
HBond donors 3
HBond acceptors 6
Atoms 61
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 Calotropagenin.