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Dihydroisocoumarin
FEATURES
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NAMES
  • DIHYDROISOCOUMARIN
SMILES
COc1cc(O)c2c(c1C)C(C)C(O)(COC(=O)c1ccc(O)c(CC=C(C)C)c1)OC2=O
InChI
InChI=1S/C25H28O8/c1-13(2)6-7-16-10-17(8-9-18(16)26)23(28)32-12-25(30)15(4)21-14(3)20(31-5)11-19(27)22(21)24(29)33-25/h6,8-11,15,26-27,30H,7,12H2,1-5H3
MOLECULAR FORMULA
C25H28O8
CROSS REFERENCES
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Dihydroisocoumarin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 456.18
AlogP 3.74
HBond donors 3
HBond acceptors 8
Atoms 61
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Dihydroisocoumarin.