HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyron
TANGERITIN · ponkanetin · Cnidium Monnieri · 5,6,7,8,4'-PENTAMETHOXYFLAVONE · 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one · NSC 53909 · angeretin · NSC 618905
Identifikatoren & physikalische Daten
| CAS No. | 481-53-8 |
|---|---|
| Summenformel | C20H20O7 |
| Durchschnittliche Molmasse | 372,4 g/mol |
| Monoisotopische Masse | 372,12090298 g/mol |
| SMILES | COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1 |
| InChIKey | ULSUXBXHSYSGDT-UHFFFAOYSA-N |
| PubChem CID | 68077 |
| ChEMBL | CHEMBL73930 |
| ChEBI | CHEBI:9400 |
| EC No. | 207-570-1 |
| DTXSID | DTXSID30197417 |
| Lokaler Name | 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyron |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 540 |
| Stoffklassen | Antioxidant |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211] |
| Schmelzpunkt | 154 °C153.0 to 157.0 °C |
| Physical Description | Solid |
| Collision Cross Section | 208.15 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]182 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]181.35 Ų [M+H]+ [CCS Type: TW186.7 Ų [M+H]+ |
| Siedepunkt | 565.3±50.0 °C(Predicted) |
| Dichte | 1.244±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO : 25 mg/mL (67.14 mMNeed ultrasonic) |
| Aggregatzustand | Solid |
| Farbe | White to Almost white |
| BRN | 351695 |
| Hauptanwendungen | food and beverages |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGANTIOXIDANT |
| InChI | InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3 |
| InChIKey | ULSUXBXHSYSGDT-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(OC)C=C2)OC2=C(OC)C(OC)=C(OC)C(OC)=C2C(=O)C=1 |
| LogP (Verteilungskoeffizient) | 1.788 (est) |
| CAS Datenbank | 481-53-8(CAS DataBase Reference) |
| NIST chemische Informationen | Tangeretin(481-53-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| Zollcode | 29329990 |
| RTECS-Nr. | DJ3102725 |
| R-Sätze (R) | 25-36/37/38 |
| Toxizität | rat,LD50,intraperitoneal,> 1gm/kg (1000mg/kg),Advances in Teratology. Vol. 3, Pg. 181, 1968. |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 45-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Tangeretin has been used as an antioxidant and antifungal agent to test its effects on ferroptosis inhibition, conidial development, and appressorium formation against Magnaporthe oryzae. It has also been used as a co-chemotherapeutics agent to study its cytotoxic effects in combination with 5-Fluorouracil (5-Fu) on WiDr colon cancer cells.