HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,7,4'-Trimethoxyflavone
5,7,4'-trimethylapigenin · 5,7,4'-TRIMETHOXYFLAVONE · APIGENIN TRIMETHYL ETHER · 5,?7,?4'-?Trimethoxyflavone · Trimethylapigenin · Tri-O-methylapigenin · 4',5,7-Trimethoxyflavone · 4',5,7- Trimethoxyflarone
Identifikatoren & physikalische Daten
| CAS No. | 5631-70-9 |
|---|---|
| Summenformel | C18H16O5 |
| Durchschnittliche Molmasse | 312,3 g/mol |
| Monoisotopische Masse | 312,09977361 g/mol |
| SMILES | COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1 |
| InChIKey | ZXJJBDHPUHUUHD-UHFFFAOYSA-N |
| PubChem CID | 79730 |
| ChEMBL | CHEMBL1087720 |
| ChEBI | CHEBI:174981 |
| EC No. | 802-250-3 |
| DTXSID | DTXSID10204855 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 54 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 452 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211] |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 156 - 157 °C158-160°C (dec.) |
| Physical Description | Solid |
| Siedepunkt | 506.5±50.0 °C(Predicted) |
| Dichte | 1.242±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | Solid |
| Farbe | Light yellow to yellow |
| InChI | InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3 |
| InChIKey | ZXJJBDHPUHUUHD-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(OC)C=C2)OC2=CC(OC)=CC(OC)=C2C(=O)C=1 |
| LogP (Verteilungskoeffizient) | 3.530 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4'',5,7-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner.