Introduction：Basic information about CAS 10376-48-4|Shionone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Shionone |
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| CAS Number | 10376-48-4 | Molecular Weight | 426.717 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 485.6±14.0 °C at 760 mmHg |
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| Molecular Formula | C30H50O | Melting Point | 161-162° |
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| MSDS | / | Flash Point | 200.5±15.1 °C |
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Names
| Name | shionone |
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| Synonym | More Synonyms |
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Shionone BiologicalActivity
| Description | Shionone is the major triterpenoid isolated from Aster tataricus, has anti-tussive, anti-inflammatory activities[1][2]. Shionone possesses a unique six-membered tetracyclic skeleton and 3-oxo-4-monomethyl structure[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| In Vivo | Shionone (orally administration; 80 mg/kg; 3 days; once daily) shows the trend of enhancing sputum secreting, but has no effect on ammonia-induced cough and reduces xylene-induced ear edema[1]. Animal Model: ICR male mice[1] Dosage: 80 mg/kg Administration: Orally administration; 3 days; once daily Result: Reduced the ear edema for 11.3% by use shionone. |
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| References | [1]. Sawai S, et al. Molecular characterization of an oxidosqualene cyclase that yields shionone, a unique tetracyclic triterpene ketone of Aster tataricus.FEBS Lett. 2011 Apr 6;585(7):1031-6. [2]. Yu P, et al. Expectorant, antitussive, anti-inflammatory activities and compositional analysis of Aster tataricus.J Ethnopharmacol. 2015 Apr 22;164:328-33. |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 485.6±14.0 °C at 760 mmHg |
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| Melting Point | 161-162° |
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| Molecular Formula | C30H50O |
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| Molecular Weight | 426.717 |
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| Flash Point | 200.5±15.1 °C |
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| Exact Mass | 426.386169 |
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| PSA | 17.07000 |
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| LogP | 11.00 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.498 |
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| InChIKey | HXPXUNQUXCHJLL-LZQQOHPBSA-N |
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| SMILES | CC(C)=CCCC1(C)CCC2(C)C3CCC4(C)C(C)C(=O)CCC4C3(C)CCC2(C)C1 |
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Safety Information
| Safety Phrases | 24/25 |
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| HS Code | 29143990 |
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Synonyms
| (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one |
| SHIONONE |
| 21-Shionen-3-one |
| (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone |
| 2(1H)-Chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-penten-1-yl)-, (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)- |
| 3b,5a,8,17ab-Tetramethyl-3-(4-methyl-3-pentenyl)-D-homoandrostan-17-one |
| 18,19-Seco-D:A-friedolup-19-en-3-one |
| D:A-Friedo-18,19-secolup-19-en-3-one |
