HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Narcissin
narcissoside · ISORHAMNETIN-3-O-RUTINOSIDE · NARCISSIN · NARCISIN · Isorhamnetin-3-O-β-D-rutinoside · isorhaMnetin 3-O-β-D-rutinoside · Aids089289 · Aids-089289
Identifikatoren & physikalische Daten
| CAS No. | 604-80-8 |
|---|---|
| Summenformel | C28H32O16 |
| Durchschnittliche Molmasse | 624,5 g/mol |
| Monoisotopische Masse | 624,16903493 g/mol |
| SMILES | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChIKey | UIDGLYUNOUKLBM-GEBJFKNCSA-N |
| PubChem CID | 5481663 |
| ChEMBL | CHEMBL258394 |
| ChEBI | CHEBI:145096 |
| EC No. | 805-229-7 |
| DTXSID | DTXSID00209157 |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 255 |
| H-Brücken-Donoren | 9 |
| H-Brücken-Akzeptoren | 16 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 44 |
| Formalladung | 0 |
| Komplexität | 1.040 |
| Schmelzpunkt | 182-184°C |
| Siedepunkt | 953.1±65.0 °C(Predicted) |
| Dichte | 1.74 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 6.17±0.40(Predicted) |
| Aggregatzustand | powder |
| Farbe | Yellow |
| Hauptanwendungen | metabolomicsvitamins, nutraceuticals, and natural products |
| InChIKey | UIDGLYUNOUKLBM-MCZPZOQCNA-N |
| SMILES | O[C@@H]([C@H](CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)O2)[C@@H](O)[C@H](O)[C@H]2OC3=C(C4=CC=C(O)C(OC)=C4)OC5=CC(O)=CC(O)=C5C3=O |
| CAS Datenbank | 604-80-8 |
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 |
| Zollcode | 29389090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Narcissoside is a flavonoid from Nitraria tangutorum. Narcissoside may have antiproliferative activity in human colon cancer cell line (HT29).