canSAR1711431
FEATURES
Loading...
NAMES
    SMILES
    C=C(C)C(CC=C(C)C)Cc1c2c(c(O)c3c1O[C@@H](c1ccc(O)cc1)[C@H]3c1cc(O)cc(O)c1)C(=O)C[C@@H](c1ccc(O)cc1O)O2
    InChI
    InChI=1S/C39H38O9/c1-19(2)5-6-22(20(3)4)15-29-38-34(31(45)18-32(47-38)28-12-11-25(41)17-30(28)44)36(46)35-33(23-13-26(42)16-27(43)14-23)37(48-39(29)35)21-7-9-24(40)10-8-21/h5,7-14,16-17,22,32-33,37,40-44,46H,3,6,15,18H2,1-2,4H3/t22?,32-,33-,37-/m0/s1
    MOLECULAR FORMULA
    C39H38O9
    CROSS REFERENCES
    Loading...
    canSAR1711431
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight650.25
    AlogP7.98
    HBond donors6
    HBond acceptors9
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711431.