HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nodakenin
NODAKENIN · Nodakenin-RM · AliNodakenin · Nodakenin USP/EP/BP · Nodakenin, 10 mM in DMSO · Nodakenin, 98%, from Angelica decursiva (Miq.) Franch. & Sav. · 2-(7-Oxo-2,3-dihydro-7H-furo[3,2-g]chromen-3-yl)-2-propanyl β-D-glucopyranoside · (R)-2-[1-(β-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
Identifikatoren & physikalische Daten
| CAS No. | 495-31-8 |
|---|---|
| Summenformel | C20H24O9 |
| Durchschnittliche Molmasse | 408,4 g/mol |
| Monoisotopische Masse | 408,14203234 g/mol |
| SMILES | CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 |
| InChIKey | HXCGUCZXPFBNRD-DNLMCPORSA-N |
| PubChem CID | 73191 |
| ChEMBL | CHEMBL459825 |
| ChEBI | CHEBI:7607 |
| EC No. | 683-098-3 |
| DTXSID | DTXSID601318602 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 135 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 650 |
| Schmelzpunkt | melting at 216° |
| Siedepunkt | 657.1±55.0 °C(Predicted) |
| Dichte | 1.51±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | Chloroform (Slightly, Sonicated), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.90±0.70(Predicted) |
| Farbe | Off-White to Pale Beige |
| Hauptanwendungen | food and beverages |
| InChIKey | HXCGUCZXPFBNRD-VPVUCYOBNA-N |
| SMILES | C([C@@H]1OC2=CC3OC(=O)C=CC=3C=C2C1)(C)(C)O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O |&1:1,18,19,20,22,24,r| |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29389090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Nodakenin is a compound used for inhibiting influenza virus including Nodakenin and/or Nodakenetin.