Berberine

Chemical Information
Berberine is a berberine alkaloid, an organic heteropentacyclic compound, an alkaloid antibiotic and a botanical anti-fungal agent. It has a role as a geroprotector, an antioxidant, a metabolite, a hypoglycemic agent, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antineoplastic agent, an antilipemic drug, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 3.1.1.4 (phospholipase A2) inhibitor, a potassium channel blocker, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor, an EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor, an EC 1.21.3.3 (reticuline oxidase) inhibitor, an EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor, an EC 2.7.11.10 (IkappaB kinase) inhibitor and an EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor.
| CAS Number | 2086-83-1 |
| PubChem CID | 2353 |
| IUPAC Name | 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene |
| Molecular Formula | C20H18NO4+ |
| Molecular Weight | 336.4 |
| XLogP | 3.6 |
| Topological Polar Surface Area | 40.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 25 |
| Formal Charge | 1 |
| Complexity | 488 |
| Property | Value |
|---|---|
| Molecular Weight | 336.4 |
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 336.12358306 |
| Monoisotopic Mass | 336.12358306 |
| Topological Polar Surface Area | 40.8 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 1 |
| Complexity | 488 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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