Isocephalomannine
FEATURES
Loading...
NAMES
  • Isocephalomannine
SMILES
C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@](C)(C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@]1(O)C3(C)C)[C@@H](O)C[C@H]1OC[C@]12OC(C)=O
InChI
InChI=1S/C45H53NO14/c1-9-23(2)40(53)59-38-36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32-24(3)29(21-45(38,55)42(32,6)7)58-41(54)34(50)33(27-16-12-10-13-17-27)46-39(52)28-18-14-11-15-19-28/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33+,34+,35+,36-,38-,43+,44-,45+/m0/s1
MOLECULAR FORMULA
C45H53NO14
CROSS REFERENCES
Loading...
Isocephalomannine
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight831.35
AlogP3.39
HBond donors4
HBond acceptors15
Atoms113
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Isocephalomannine.