HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-on
ISOQUERCETIN · QUERCETIN-3-O-GLUCOSIDE · QUERCETIN-3-GLUCOSIDE · ISOQUERCITROSIDE · Isotrifoliin · naringenin-7-O-β-D-glucoside · QUERCETIN-3-O-BETA-GLUCOPYRANOSIDE · ISOTRIFOLIN
Identifikatoren & physikalische Daten
| CAS No. | 21637-25-2 |
|---|---|
| Summenformel | C21H20O12 |
| Durchschnittliche Molmasse | 464,4 g/mol |
| Monoisotopische Masse | 464,09547608 g/mol |
| SMILES | O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
| InChIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| PubChem CID | 5280804 |
| ChEMBL | CHEMBL250450 |
| ChEBI | CHEBI:68352 |
| EC No. | 483-280-0 |
| DTXSID | DTXSID3041110 |
| Lokaler Name | 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-on |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 207 |
| H-Brücken-Donoren | 8 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 758 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211] |
| LogP (Verteilungskoeffizient) | 0.7 |
| Schmelzpunkt | 238 - 242 °C225-227° |
| Physical Description | Solid |
| Siedepunkt | 916.3±65.0 °C(Predicted) |
| Dichte | 1.87±0.1 g/cm3(Predicted) |
| FEMA | 4225 | ISOQUERCITRIN, ENZYMATICALLY MODIFIED |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly, Heated), Ethyl Acetate (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.17±0.40(Predicted) |
| Farbe | Yellow to Dark Yellow |
| Geruch | odorless |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANT |
| InChIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
| SMILES | C1(OC2=C(C(O)=CC(O)=C2)C(=O)C=1O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)C1C=CC(O)=C(O)C=1 |&1:14,15,17,18,20,r| |
| LogP (Verteilungskoeffizient) | 0.82 |
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.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3865 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Not Classified |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29389090 |
| RTECS-Nr. | LK8960000 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Occurrence
Reported found in Gossypium spp.
Verwenden
Isoquercitroside is a flavonoid compound that is within medicinal plants which displays various biological activity. This includes inhibition of adipocyte differentiation.