Bergamottin
FEATURES
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NAMES
  • BERGAMOTTIN
  • Bergomottin
  • HJJ
SMILES
CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
MOLECULAR FORMULA
C21H22O4
CROSS REFERENCES
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Bergamottin
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight338.15
AlogP5.61
HBond donors0
HBond acceptors4
Atoms47
Contains toxicophoreNo
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Bergamottin.