789582 logo
canSAR789582
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)[C@]21CO1
    InChI
    InChI=1S/C21H24O7/c1-9(2)19-13(27-19)14-21(28-14)16(3)5-4-10-11(7-24-15(10)22)17(16,23)6-12-20(21,26-12)18(19)8-25-18/h9,12-14,23H,4-8H2,1-3H3/t12-,13-,14-,16-,17+,18-,19-,20+,21+/m0/s1
    MOLECULAR FORMULA
    C21H24O7
    CROSS REFERENCES
    789582 logo

    canSAR789582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.15
    AlogP 0.63
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR789582.