β -thujaplicin 200mg

Chemical Information
Beta-thujaplicin is a monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. It has a role as an antibacterial agent, an antineoplastic agent, an antifungal agent, an antiplasmodial drug and a plant metabolite. It is a monoterpenoid, an enol and a cyclic ketone. It derives from a hydride of a cyclohepta-1,3,5-triene.
| CAS Number | 499-44-5 |
| PubChem CID | 3611 |
| IUPAC Name | 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.20 |
| XLogP | 2.1 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 280 |
| Property | Value |
|---|---|
| Molecular Weight | 164.20 |
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 280 |
| 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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