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| SKU | Size | Availability |
Price | Qty |
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B647114-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$450.90
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Terpenoids Other Terpenoids
| Specifications & Purity | ≥98% |
|---|---|
| Biochemical and Physiological Mechanisms | Bonducellpin D is a furanoditerpenoid lactone isolated from Caesalpinia minax . Bonducellpin D exhibits broad-spectrum inhibition potential against SARS-CoV M pro and MERS-CoV M pro , with an K i of 467.11 and 284.86 nM, respectively. Bonducellpin D also |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Bonducellpin D is a furanoditerpenoid lactone isolated from Caesalpinia minax . Bonducellpin D exhibits broad-spectrum inhibition potential against SARS-CoV M pro and MERS-CoV M pro , with an K i of 467.11 and 284.86 nM, respectively. Bonducellpin D also exhibits moderate anti-cancer activity in vitro Form:Solid IC50& Target:Ki: 467.11 nM (SARS-CoV Mpro), 284.86 nM (MERS-CoV Mpro) |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Terpene lactones |
| Intermediate Tree Nodes | Sesquiterpene lactones |
| Direct Parent | Eudesmanolides, secoeudesmanolides, and derivatives |
| Alternative Parents | Sesquiterpenoids Naphthofurans Benzofurans Dicarboxylic acids and derivatives Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Furans Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Eudesmanolide - Sesquiterpenoid - Naphthofuran - Benzofuran - Dicarboxylic acid or derivatives - Gamma butyrolactone - Cyclic alcohol - Furan - Heteroaromatic compound - Tertiary alcohol - Tetrahydrofuran - Lactone - Carboxylic acid ester - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | [(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate |
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| INCHI | InChI=1S/C22H28O7/c1-10(23)28-18-17-16-12(9-13-11(6-8-27-13)15(16)19(25)29-17)21(4)14(24)5-7-20(2,3)22(18,21)26/h6,8,12,14-18,24,26H,5,7,9H2,1-4H3/t12-,14-,15+,16+,17+,18-,21-,22+/m0/s1 |
| InChIKey | WIKUZWCBCFNRHH-ZCQRYNMDSA-N |
| Smiles | CC(=O)OC1C2C3C(CC4=C(C3C(=O)O2)C=CO4)C5(C1(C(CCC5O)(C)C)O)C |
| Isomeric SMILES | CC(=O)O[C@H]1[C@H]2[C@@H]3[C@H](CC4=C([C@H]3C(=O)O2)C=CO4)[C@@]5([C@@]1(C(CC[C@@H]5O)(C)C)O)C |
| PubChem CID | 10835061 |
| Molecular Weight | 404.45 |
| Molecular Weight | 404.500 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 404.184 Da |
| Monoisotopic Mass | 404.184 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 749.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |