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16-Epipyroaconitine
FEATURES
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NAMES
  • 16-Epipyroaconitine
SMILES
CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@H]1C[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1
InChI
InChI=1S/C31H43NO6/c1-5-32-16-29(17-35-2)12-11-23(36-3)31-21-15-30(34)24(37-4)14-19(20(26(31)32)13-22(29)31)25(21)27(30)38-28(33)18-9-7-6-8-10-18/h6-10,19-27,34H,5,11-17H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26?,27-,29+,30+,31-/m1/s1
MOLECULAR FORMULA
C31H43NO6
CROSS REFERENCES
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16-Epipyroaconitine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 525.31
AlogP 3.40
HBond donors 1
HBond acceptors 7
Atoms 81
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 16-Epipyroaconitine.