Beta-Hydrastine
FEATURES
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NAMES
  • Beta-Hydrastine
SMILES
COc1ccc2c(c1OC)C(=O)O[C@@H]2C1c2cc3c(cc2CCN1C)OCO3
InChI
InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18?,19-/m0/s1
MOLECULAR FORMULA
C21H21NO6
CROSS REFERENCES
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Beta-Hydrastine
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight383.14
AlogP2.87
HBond donors0
HBond acceptors7
Atoms49
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Beta-Hydrastine.