| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Source | Plant — Rutaceae Murraya paniculata (L.) Jack. |
| Molecular weight | |
| Molecular formula | C16H20O6 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Isomexoticin is classified as a natural coumarin.
It has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol.
Physical & Chemical Properties
| CAS Number | 88585-86-8 |
|---|---|
| Molecular Formula | C16H20O6 |
| Molecular Weight | 308.33 g/mol |
| Structure Classification | Phenylpropanoids Coumarins |
| SMILES | CC(C)(O)[C@@H](O)CC1=C(O2)C(C=CC2=O)=C(OC)C=C1OC |
| Initial Source | Plant — Rutaceae Murraya paniculata (L.) Jack. |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
In human colon cancer HCT116 cells, Isomexoticin (1-100 μg/mL; 24 h) upregulates EpCAM expression[1]. Isomexoticin (10-1000 μg/mL; 24 h) shows low cytotoxicity toward human colon cancer HCT116 cells (IC50 above 1000 μg/mL)[1].
Cell Cytotoxicity Assay[1]
| Cell Line | human colon cancer HCT116 cells |
|---|---|
| Concentration | 10, 50, 100, 500, 1000 μg/mL |
| Incubation Time | 24 h |
| Result | Showed inappreciable inhibition on HCT116 cells up to 500 μg/mL, with an IC₅₀ value above 1000 μg/mL. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Need this compound in a format that drops straight into your assay? We can tailor formulation, chemistry, and documentation so your results stay consistent across runs and re-orders.
- Format options: solid or pre-dissolved solution (choose solvent), target concentration, aliquots, light/moisture-protected packaging
- Chemistry options: free base/acid vs salt forms, hydrate/solvate preference, stereoisomer control (single enantiomer or racemate), close analogs
- Add-on labels & handles: D/¹³C/¹⁵N isotopes (LC-MS/internal standards), azide/alkyne or other functional handles for conjugation
- QC & documentation: standard COA or enhanced analytical pack (HPLC/LC-MS/NMR), chiral purity, residual solvents, water content (KF), method-specific specs
- Scale & continuity: mg to gram scale, bulk pricing, lot reservation, repeat-order continuity
To quote quickly, tell us: compound name + CAS/structure (SMILES or mol file), intended assay context, solvent preference, salt/stereochemistry requirements, purity/QC level, and the amount (mg–g).
Can’t find the compound you’re looking for?
Send the CAS or structure and your specs. We can help source it, suggest close equivalents, or discuss custom synthesis with the right QC documentation (RUO).