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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Basic Description
| Synonyms | Escin | beta-Escin | Aescin | 6805-41-0 | AESCINE | 11072-93-8 | MLS002695979 | SMR000127404 | (2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8 |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In | Ice chest + Ice pads |
| Product Description | Escin, a natural mixture of triterpenoid saponins isolated from horse chestnut (Aesculus hippocastanum) seeds, is used and studied as a vasoprotective anti-inflammatory, anti-edematous and antinociceptive agent. |
Associated Targets(Human)
CCR6 Tchem C-C chemokine receptor type 6 (388 Activities)
CXCR5 Tchem C-X-C chemokine receptor type 5 (187 Activities)
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Associated Targets(non-human)
Aplnr Apelin receptor (201 Activities)
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Names and Identifiers
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
|---|---|
| INCHI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1 |
| InChi Key | AXNVHPCVMSNXNP-YSYFQUGBSA-N |
| Canonical SMILES | CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C |
| Isomeric SMILES | C/C=C(\C)/C(=O)OC1[C@@H](C2([C@@H](C[C@@]3(C(=CCC4C3(CCC5C4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C |
| WGK Germany | 2 |
| RTECS | KF6296000 |
| PubChem CID | 16211024 |
| Molecular Weight | 1131.26 |
Certificates
Certificate of Analysis(COA)
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Safety and Hazards(GHS)
| Pictogram(s) | GHS09, GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements | H319:Causes serious eye irritation H335:May cause respiratory irritation H411:Toxic to aquatic life with long lasting effects H302:Harmful if swallowed H332:Harmful if inhaled |
| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P391:Collect spillage. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P319:Get medical help if you feel unwell. |
| WGK Germany | 2 |
| RTECS | KF6296000 |
Related Documents
Citations of This Product
| 1. Da Wang, Luping Sha, Chen Xu, Ying Huang, Chengcheng Tang, Tingting Xu, Xianzhe Li, Donghua Di, Jie Liu, Li Yang. (2022) Natural saponin and cholesterol assembled nanostructures as the promising delivery method for saponin. COLLOIDS AND SURFACES B-BIOINTERFACES, 214 (112448). [PMID:35306344] |
References
| 1. Da Wang, Luping Sha, Chen Xu, Ying Huang, Chengcheng Tang, Tingting Xu, Xianzhe Li, Donghua Di, Jie Liu, Li Yang. (2022) Natural saponin and cholesterol assembled nanostructures as the promising delivery method for saponin. COLLOIDS AND SURFACES B-BIOINTERFACES, 214 (112448). [PMID:35306344] |