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Alpha-Desmotroposantonin Acetate
FEATURES
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NAMES
  • Alpha-Desmotroposantonin Acetate
SMILES
CC(=O)Oc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2
InChI
InChI=1S/C17H20O4/c1-8-7-14(20-11(4)18)10(3)15-12(8)5-6-13-9(2)17(19)21-16(13)15/h7,9,13,16H,5-6H2,1-4H3/t9-,13-,16+/m0/s1
MOLECULAR FORMULA
C17H20O4
CROSS REFERENCES
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Alpha-Desmotroposantonin Acetate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 288.14
AlogP 3.03
HBond donors 0
HBond acceptors 4
Atoms 41
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 Alpha-Desmotroposantonin Acetate.