Scoparic Acid B
FEATURES
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NAMES
  • scoparic acid B
SMILES
C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CCC(C)=O
InChI
InChI=1S/C25H32O5/c1-16-15-20(30-22(27)18-9-6-5-7-10-18)21-24(3,19(16)12-11-17(2)26)13-8-14-25(21,4)23(28)29/h5-7,9-10,19-21H,1,8,11-15H2,2-4H3,(H,28,29)/t19-,20-,21-,24-,25-/m1/s1
MOLECULAR FORMULA
C25H32O5
CROSS REFERENCES
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Scoparic Acid B
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight412.22
AlogP5.05
HBond donors1
HBond acceptors5
Atoms62
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Scoparic Acid B.