2280238 logo
canSAR2280238
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)c1O
    InChI
    InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30-,36-/m1/s1
    MOLECULAR FORMULA
    C39H38O9
    CROSS REFERENCES
    2280238 logo

    canSAR2280238

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 650.25
    AlogP 7.73
    HBond donors 8
    HBond acceptors 9
    Atoms 86
    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 canSAR2280238.