HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Englerin A
(-)-ENGLERIN A · Englerin A · (?)-Englerin A · (-)-Englerin A-RM · Englerin A high purity · (1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl(2E)-3-phenylacrylate · 2-Propenoic acid, 3-phenyl-, (1R,3aR,4S,5R,7R,8S,8aR)-decahydro-5-[(2-hydroxyacetyl)oxy]-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-8-yl ester, (2E)-
Identifikatoren & physikalische Daten
| CAS No. | 1094250-15-3 |
|---|---|
| Summenformel | C26H34O6 |
| Durchschnittliche Molmasse | 442,5 g/mol |
| Monoisotopische Masse | 442,2355388 g/mol |
| SMILES | CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1 |
| InChIKey | GACOFEKSDCOVMV-RRYXBOBMSA-N |
| PubChem CID | 46242512 |
| ChEMBL | CHEMBL2024567 |
| ChEBI | CHEBI:72441 |
| EC No. | 805-134-0 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 82,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 741 |
| Schmelzpunkt | 57 °C |
| Siedepunkt | 550.3±50.0 °C(Predicted) |
| Dichte | 1.20±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| pKa (Säurekonstante) | 12.88±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to light yellow |
| Hauptanwendungen | food and beverages |
| InChIKey | GACOFEKSDCOVMV-ACCUITESSA-N |
| SMILES | O1C2(C3C(C(C1(CC2OC(=O)CO)C(C)C)OC(=O)\C=C\c4ccccc4)C(CC3)C)C |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Englerin A is a selective inhibitor of renal cancer cell growth.