CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 2.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 339.4 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 339.14705815 g/mol |
Monoisotopic Mass | 339.14705815 g/mol |
Topological Polar Surface Area | 40.2 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 488 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Canadine is a berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. It is a berberine alkaloid, an organic heteropentacyclic compound, an aromatic ether and an oxacycle.