Roseamine
FEATURES
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NAMES
  • Roseamine
SMILES
CC[C@@H]1C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
InChI
InChI=1S/C46H58N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,22-23,28-29,38-40,47,54H,8-9,15,17-21,24-26H2,1-7H3/t28-,29-,38+,39-,40-,43-,44-,45+,46+/m1/s1
MOLECULAR FORMULA
C46H58N4O8
CROSS REFERENCES
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Roseamine
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight794.43
AlogP4.88
HBond donors2
HBond acceptors12
Atoms116
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Roseamine.