Deoxoscalarin Acetate
FEATURES
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NAMES
  • Deoxoscalarin Acetate
SMILES
CC(=O)O[C@@H]1OCC2=CC[C@@H]3[C@](C)([C@@H](OC(C)=O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@H]21
InChI
InChI=1S/C29H44O5/c1-17(30)33-23-15-22-27(5)13-8-12-26(3,4)20(27)11-14-28(22,6)21-10-9-19-16-32-25(34-18(2)31)24(19)29(21,23)7/h9,20-25H,8,10-16H2,1-7H3/t20-,21-,22+,23-,24+,25-,27-,28-,29+/m0/s1
MOLECULAR FORMULA
C29H44O5
CROSS REFERENCES
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Deoxoscalarin Acetate
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight472.32
AlogP6.06
HBond donors0
HBond acceptors5
Atoms78
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Deoxoscalarin Acetate.