784388 logo
canSAR784388
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C(=C\CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)C3CC[C@]12C
    InChI
    InChI=1S/C27H42O6/c1-15(7-6-10-24(2,3)32)16-9-12-27(33)18-13-20(28)19-14-21(29)22(30)23(31)26(19,5)17(18)8-11-25(16,27)4/h7,13,16-17,19,21-23,29-33H,6,8-12,14H2,1-5H3/b15-7+/t16-,17?,19+,21-,22-,23-,25-,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H42O6
    CROSS REFERENCES
    784388 logo

    canSAR784388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.30
    AlogP 2.66
    HBond donors 5
    HBond acceptors 6
    Atoms 75
    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 canSAR784388.