1620999 logo
canSAR1620999
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(/C=C/C(=O)C2(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CCCCC2)cc(OC)c1OC
    InChI
    InChI=1S/C30H36O8/c1-33-22-16-20(17-23(34-2)28(22)37-5)10-12-26(31)30(14-8-7-9-15-30)27(32)13-11-21-18-24(35-3)29(38-6)25(19-21)36-4/h10-13,16-19H,7-9,14-15H2,1-6H3/b12-10+,13-11+
    MOLECULAR FORMULA
    C30H36O8
    CROSS REFERENCES
    1620999 logo

    canSAR1620999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.24
    AlogP 5.55
    HBond donors 0
    HBond acceptors 8
    Atoms 74
    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 canSAR1620999.