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Dimethyl Gambogate
FEATURES
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NAMES
  • DIMETHYL GAMBOGATE
SMILES
COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(OC)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC=C(C)C)C=C6)C2=O
InChI
InChI=1S/C40H48O8/c1-22(2)12-11-17-38(8)18-16-27-32(46-38)26(14-13-23(3)4)34-30(33(27)44-9)31(41)28-20-25-21-29-37(6,7)48-39(35(25)42,40(28,29)47-34)19-15-24(5)36(43)45-10/h12-13,15-16,18,20,25,29H,11,14,17,19,21H2,1-10H3/b24-15-
MOLECULAR FORMULA
C40H48O8
CROSS REFERENCES
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Dimethyl Gambogate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 656.33
AlogP 7.63
HBond donors 0
HBond acceptors 8
Atoms 96
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 Dimethyl Gambogate.