HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Loureirin A
ColouringA · Loureirin A · Loureirin A, 10 mM in DMSO · 3-(2,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one · 3-(2,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone · 1-Propanone, 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)- · Loureirin A, 98%, from Dracaena cochinchinensis (Lour.) S. C. Chen
Identifikatoren & physikalische Daten
| CAS No. | 119425-89-7 |
|---|---|
| Summenformel | C17H18O4 |
| Durchschnittliche Molmasse | 286,32 g/mol |
| Monoisotopische Masse | 286,12050905 g/mol |
| SMILES | COc1ccc(CCC(=O)c2ccc(O)cc2)c(OC)c1 |
| InChIKey | RSAIVLRELNGZEY-UHFFFAOYSA-N |
| PubChem CID | 5319081 |
| ChEMBL | CHEMBL253779 |
| DTXSID | DTXSID201318286 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 323 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212] |
| Siedepunkt | 479.1±40.0 °C(Predicted) |
| Dichte | 1.170 |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMSO : ≥ 86.6 mg/mL (302.46 mM) |
| pKa (Säurekonstante) | 8.08±0.15(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| InChI | InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3 |
| InChIKey | RSAIVLRELNGZEY-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(O)C=C1)(=O)CCC1=CC=C(OC)C=C1OC |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 29145090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Loureirin A is a component of traditional Chinese medicine which helps combat neurodegenerative diseases. Extracted from the red resin of Dracaena cochinchinensis S.C Chen, known as Dragon’s Blood.