3-acetyl 15beta-hydroxyl bufotalin
FEATURES
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NAMES
  • 3-acetyl 15beta-hydroxyl bufotalin
SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)[C@@H](O)[C@]4(O)[C@@H]3CC[C@@H]2C1
InChI
InChI=1S/C28H38O8/c1-15(29)35-19-9-11-26(3)18(13-19)6-7-21-20(26)10-12-27(4)23(17-5-8-22(31)34-14-17)24(36-16(2)30)25(32)28(21,27)33/h5,8,14,18-21,23-25,32-33H,6-7,9-13H2,1-4H3/t18-,19+,20+,21-,23+,24-,25-,26+,27-,28-/m1/s1
MOLECULAR FORMULA
C28H38O8
CROSS REFERENCES
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3-acetyl 15beta-hydroxyl bufotalin
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight502.26
AlogP3.33
HBond donors2
HBond acceptors8
Atoms74
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3-acetyl 15beta-hydroxyl bufotalin.