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Pseudobrucine
FEATURES
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NAMES
  • Pseudobrucine
SMILES
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@]43O
InChI
InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13-,18-,20-,21-,22-,23+/m0/s1
MOLECULAR FORMULA
C23H26N2O5
CROSS REFERENCES
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Pseudobrucine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 410.18
AlogP 1.43
HBond donors 1
HBond acceptors 7
Atoms 56
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 Pseudobrucine.