Introduction：Basic information about CAS 72896-40-3|Benzoyloxypeoniflorin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzoyloxypeoniflorin |
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| CAS Number | 72896-40-3 | Molecular Weight | 600.567 |
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| Density | 1.6±0.0 g/cm3 | Boiling Point | 789.1±0.0 °C at 760 mmHg |
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| Molecular Formula | C30H32O13 | Melting Point | / |
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| MSDS | / | Flash Point | 258.6±0.0 °C |
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Names
| Name | ((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate |
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| Synonym | More Synonyms |
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Benzoyloxypeoniflorin BiologicalActivity
| Description | Benzoyloxypaeoniflorin, isolated from the root of Paeonia suffruticosa, is a tyrosinase inhibitor against mushroom tyrosinase with IC50 of 0.453 mM. Benzoyloxypaeoniflorin is NF-κB Inhibitor and contributes to improving blood circulation through its inhibitory effect on both platelet aggregation and blood coagulation[1][2][3]. |
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| Related Catalog | Research Areas >>Inflammation/ImmunologySignaling Pathways >>Metabolic Enzyme/Protease >>Tyrosinase |
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| Target | IC50: 0.453 mM (Mushroom tyrosinase)[1] NF-κB[2] |
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| References | [1]. Ding HY, et al. Tyrosinase inhibitors isolated from the roots of Paeonia suffruticosa. J Cosmet Sci. 2009 May-Jun;60(3):347-52. [2]. Lu Y, et al. The Screening Research of NF-κB Inhibitors from Moutan Cortex Based on Bioactivity-Integrated UPLC-Q/TOF-MS. Evid Based Complement Alternat Med. 2019 Mar 3;2019:6150357. [3]. Koo YK, et al. Platelet anti-aggregatory and blood anti-coagulant effects of compounds isolated from Paeonia lactiflora and Paeonia suffruticosa. Pharmazie. 2010 Aug;65(8):624-8. |
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Chemical & Physical Properties
| Density | 1.6±0.0 g/cm3 |
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| Boiling Point | 789.1±0.0 °C at 760 mmHg |
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| Molecular Formula | C30H32O13 |
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| Molecular Weight | 600.567 |
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| Flash Point | 258.6±0.0 °C |
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| Exact Mass | 600.184265 |
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| PSA | 190.67000 |
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| LogP | 5.22 |
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| Vapour Pressure | 0.0±0.0 mmHg at 25°C |
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| Index of Refraction | 1.699 |
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| InChIKey | VIWQCBZFJFSCLC-HRCYFWENSA-N |
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| SMILES | CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O |
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| Storage condition | 2-8℃ |
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Safety Information
Synonyms
| {(1R,2S,3R,5R,6R,8S)-3-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0.0]dec-2-yl}methyl 4-hydroxybenzoate |
| β-benzoyloxypaeoniflorin |
| Benzoic acid, 4-hydroxy-, [(1aR,2S,3aR,5R,5aR,5bS)-1a-[(6-O-benzoyl-β-D-glucopyranosyl)oxy]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl ester |
| Benzoyloxypeoniflorin |
| Benzoyloxypaeoniflorin |
