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12Beta-Hydroxyresibufogenin
FEATURES
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NAMES
  • 12Beta-Hydroxyresibufogenin
SMILES
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312
InChI
InChI=1S/C24H32O5/c1-22-8-7-15(25)9-14(22)4-5-16-18(22)10-19(26)23(2)17(11-20-24(16,23)29-20)13-3-6-21(27)28-12-13/h3,6,12,14-20,25-26H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,22+,23+,24-/m1/s1
MOLECULAR FORMULA
C24H32O5
CROSS REFERENCES
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12Beta-Hydroxyresibufogenin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 400.22
AlogP 3.23
HBond donors 2
HBond acceptors 5
Atoms 61
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 12Beta-Hydroxyresibufogenin.