HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cardamonin
(E)-Cardamonin · (8CI) · Cardamomin-RM · CARDAMONIN(RG) · Cardamonin, >=98% · Alpinetin chalcone · 6-Diaminocaproic acid · CAS19309-14-9 CARDAMONIN
Identifikatoren & physikalische Daten
| CAS No. | 19309-14-9 |
|---|---|
| Summenformel | C16H14O4 |
| Durchschnittliche Molmasse | 270,28 g/mol |
| Monoisotopische Masse | 270,08920893 g/mol |
| SMILES | COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1 |
| InChIKey | NYSZJNUIVUBQMM-BQYQJAHWSA-N |
| PubChem CID | 641785 |
| ChEMBL | CHEMBL378104 |
| ChEBI | CHEBI:186253 |
| EC No. | 663-565-8 |
| DTXSID | DTXSID201029726 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 346 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212] |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 199~200℃ |
| Siedepunkt | 484.5±45.0 °C(Predicted) |
| Dichte | 1.282±0.06 g/cm3(Predicted) |
| Lagerbedingungen | room temp |
| Löslichkeit | DMSO: ≥20mg/mL |
| pKa (Säurekonstante) | 7.00±0.40(Predicted) |
| Aggregatzustand | powder |
| Farbe | yellow |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 2 weeks. |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ |
| InChIKey | NYSZJNUIVUBQMM-BQYQJAHWSA-N |
| SMILES | C(C1=C(OC)C=C(O)C=C1O)(=O)/C=C/C1=CC=CC=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, 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 | Aquatic Acute 1 (95%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29242990 |
| R-Sätze (R) | 50/53 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Cardamonin has been used as a glycogen synthase kinase 3 (GSK3) inhibitor to study its effects on β-catenin loss and gain-of-function in human preimplantation embryos.