canSAR1649351
FEATURES
Loading...
NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](C(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C39H54O5/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)27(33(25)39)10-13-32-36(5)17-15-26(35(3,4)31(36)16-18-38(32,37)7)28(40)11-8-24-9-12-29(41)30(42)22-24/h8-9,11-12,22,25-27,31-33,41-42H,1,10,13-21H2,2-7H3,(H,43,44)/b11-8+/t25-,26+,27+,31-,32+,33+,36-,37+,38+,39-/m0/s1
    MOLECULAR FORMULA
    C39H54O5
    CROSS REFERENCES
    Loading...
    canSAR1649351
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight602.40
    AlogP9.04
    HBond donors3
    HBond acceptors5
    Atoms98
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649351.