10-Hydroxy-7-methoxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
Grundinformationen
- CAS
119170-52-4- Standard-SMILES
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)oc(C)cc3cc2c1- InChIKey
GBGJNKYTLIUCMX-UHFFFAOYSA-N- Summenformel
- C27H32O15
- Durchschnittliche Molmasse
- 596,5 g/mol
- Monoisotopische Masse
- 596,17412031
Namen und Bezeichner
- Bevorzugter Name
- 10-Hydroxy-7-methoxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
- IUPAC
- 10-hydroxy-7-methoxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
- Englischer Name
- Cassiaside C
- Summenformel
- C27H32O15
- Molmasse
- 596.54
Namen und Synonyme
Toralactone 9-gentiobioside10-Hydroxy-7-methoxy-3-methyl-9-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-oneE87131Cassiaside Ctoralactone-9-O-β-D-gentiobiosideToralactone 9-O-beta-D-gentiobiosideRivaroxaban Impurity 18 Hydrochloride9-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-10-hydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one9-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-10-hydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one USP/EP/BP1H-Naphtho[2,3-c]pyran-1-one,9-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl-1H-Naphtho[2,3-c]pyran-1-one, 9-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl-nephropathy,Diabetic,mesangial cell,end products,Endogenous Metabolite,Cassiae Semen,TGF-β1,Cassiaside C,Advanced glycation,Inhibitor,inhibit
Datenbank-Bezeichner
- CAS
119170-52-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 234 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 42
- Formalladung
- 0
- Komplexität
- 979
Experimentelle und physikochemische Eigenschaften
Melting Point235 - 237 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 235 · 235-237 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Siedepunkt
- 932.2 · 932.2±65.0 °C(Predicted)
- Dichte
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- Aggregatzustand
- Solid
- pka
- 6.88 · 6.88±0.20(Predicted)
- Farbe
- White to off-white
- InChIKey
- GBGJNKYTLIUCMX-XLXOWTOPNA-N
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Anwendungen
BeschreibungCassiaside C belongs to the class of organic compounds known as naphthopyranone glycosides. Naphthopyranone glycosides are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety. Cassiaside C has been detected, but not quantified in, several different foods, such as arabica coffees (Coffea arabica), coffee and coffee products, herbs and spices, pulses, and robusta coffees (Coffea canephora). This could make cassiaside C a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Cassiaside C.
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