HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pomiferin
Pomiferin (NSC 5113) · 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one · 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one · 3-(3,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one · 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-
Identifikatoren & physikalische Daten
| CAS No. | 572-03-2 |
|---|---|
| Summenformel | C25H24O6 |
| Durchschnittliche Molmasse | 420,5 g/mol |
| Monoisotopische Masse | 420,15728848 g/mol |
| SMILES | CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2 |
| InChIKey | GHCZYXUOYFOXIP-UHFFFAOYSA-N |
| PubChem CID | 4871 |
| ChEMBL | CHEMBL393136 |
| ChEBI | CHEBI:8329 |
| DTXSID | DTXSID00205831 |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 96,2 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 792 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205] |
| Collision Cross Section | 197.89 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]205.8 Ų [M+H]+ [CCS Type: TW |
| Schmelzpunkt | >300℃ |
| Siedepunkt | 673.5±55.0 °C(Predicted) |
| Dichte | 1.314±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.85±0.40(Predicted) |
| Farbe | Light yellow to yellow |
| Biologische Quelle | plant |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANT |