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4alpha-Hydroperoxy-5-enovatodiolide
FEATURES
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NAMES
  • 4alpha-Hydroperoxy-5-enovatodiolide
SMILES
C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(C/C=C/[C@@](C)(OO)CC[C@H]12)C(=O)O3
InChI
InChI=1S/C20H24O6/c1-12-9-15-11-14(19(22)24-15)5-4-7-20(3,26-23)8-6-16-13(2)18(21)25-17(16)10-12/h4,7,10-11,15-17,23H,2,5-6,8-9H2,1,3H3/b7-4+,12-10+/t15-,16-,17+,20-/m1/s1
MOLECULAR FORMULA
C20H24O6
CROSS REFERENCES
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4alpha-Hydroperoxy-5-enovatodiolide

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 360.16
AlogP 3.26
HBond donors 1
HBond acceptors 6
Atoms 50
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 4alpha-Hydroperoxy-5-enovatodiolide.