Hyperforin - solution in methanol

Chemical Information
Hyperforin is a cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum. It has a role as an antibacterial agent, an antidepressant, an antineoplastic agent, an anti-inflammatory agent, an apoptosis inducer, a plant metabolite and a GABA reuptake inhibitor. It is a cyclic terpene ketone, a carbobicyclic compound and a sesquarterpenoid.
| CAS Number | 11079-53-1 |
| PubChem CID | 441298 |
| IUPAC Name | (1R,5R,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione |
| Molecular Formula | C35H52O4 |
| Molecular Weight | 536.8 |
| XLogP | 9.6 |
| Topological Polar Surface Area | 71.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Property | Value |
|---|---|
| Molecular Weight | 536.8 |
| XLogP3 | 9.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 536.38656014 |
| Monoisotopic Mass | 536.38656014 |
| Topological Polar Surface Area | 71.4 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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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