HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyron
EUCALYPTIN · 5-Hydroxy-7,4'-dimethoxy-6,8-dimethylflavone · 5-Hydroxy-4',7-dimethoxy-6,8-dimethylflavone · 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one · 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyrone · 5-Hydroxy-7-Methoxy-2-(4-Methoxyphenyl)-6,8-diMethyl-4H-chroMen-4-one · 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one · 5-Hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-methoxy-4H-1-benzopyran-4-one
Identifikatoren & physikalische Daten
| CAS No. | 3122-88-1 |
|---|---|
| Summenformel | C19H18O5 |
| Durchschnittliche Molmasse | 326,3 g/mol |
| Monoisotopische Masse | 326,11542367 g/mol |
| SMILES | COc1ccc(-c2cc(=O)c3c(O)c(C)c(OC)c(C)c3o2)cc1 |
| InChIKey | NHMMAMIRMITGRD-UHFFFAOYSA-N |
| PubChem CID | 76573 |
| ChEMBL | CHEMBL4750729 |
| ChEBI | CHEBI:230595 |
| EC No. | 221-502-8 |
| DTXSID | DTXSID60185145 |
| Lokaler Name | 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyron |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 65 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 494 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211] |
| Schmelzpunkt | 192 - 195°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow to Yellow |
| LogP (Verteilungskoeffizient) | 4.217 (est) |