Physicochemical Properties
| Molecular Formula | C23H24O12 |
| Molecular Weight | 492.4295 |
| Exact Mass | 492.126 |
| CAS # | 37744-61-9 |
| PubChem CID | 11968629 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 813.6±65.0 °C at 760 mmHg |
| Flash Point | 281.1±27.8 °C |
| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
| Index of Refraction | 1.676 |
| LogP | -0.08 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 35 |
| Complexity | 776 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChi Key | HFODKTZIQVSGJO-ZTATXHNCSA-N |
| InChi Code | InChI=1S/C23H24O12/c1-31-12-4-3-9(5-11(12)25)10-8-33-13-6-14(22(32-2)19(28)16(13)17(10)26)34-23-21(30)20(29)18(27)15(7-24)35-23/h3-6,8,15,18,20-21,23-25,27-30H,7H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1 |
| Chemical Name | 5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro |
- Proliferative activity on breast cancer cells: Iristectorin A exhibits proliferative activity on two human breast cancer cell lines, MCF-7 and MDA-MB-231. At concentrations of 1 μM, 5 μM, and 10 μM, it significantly increases the cell viability of MCF-7 cells by 12.5%, 28.3%, and 35.7% respectively compared to the control group. For MDA-MB-231 cells, the compound increases cell viability by 10.2%, 24.6%, and 31.4% at the same concentrations. No cytotoxicity is observed at the tested concentrations [1] |
| Cell Assay |
- Breast cancer cell proliferation assay: MCF-7 and MDA-MB-231 cells are seeded in 96-well plates at a density of 5×10³ cells per well and incubated overnight to allow attachment. Iristectorin A is dissolved in an appropriate solvent and added to the wells at final concentrations of 1 μM, 5 μM, and 10 μM. The control group receives the same volume of solvent without the compound. Cells are incubated at 37°C in a humidified atmosphere with 5% CO₂ for 72 hours. After incubation, a cell viability assay reagent is added to each well, and the plates are incubated for an additional 4 hours. The absorbance is measured at 490 nm using a microplate reader, and the cell viability rate is calculated relative to the control group [1] |
| References |
[1]. Phenolic constituents of the rhizomes of the Thai medicinal plant Belamcanda chinensis with proliferative activity for two breast cancer cell lines. J Nat Prod. 2005 Mar;68(3):361-4. |
| Additional Infomation |
Iristectorin A has been reported in Iris kemaonensis, Iris domestica, and other organisms with data available. - Iristectorin A is a phenolic constituent isolated from the rhizomes of Belamcanda chinensis, a Thai medicinal plant [1] - The study focuses on investigating the proliferative activity of phenolic compounds from Belamcanda chinensis, and Iristectorin A is identified as one of the active components with proliferative effects on breast cancer cell lines [1] |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~203.07 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.08 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.08 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0307 mL | 10.1537 mL | 20.3075 mL | |
| 5 mM | 0.4061 mL | 2.0307 mL | 4.0615 mL | |
| 10 mM | 0.2031 mL | 1.0154 mL | 2.0307 mL |