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苯甲酰氧化芍药苷

苯甲酰氧化芍药苷

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?苯甲酰氧化芍药苷名称
















中文名

苯甲酰氧化芍药苷
英文名

((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
英文别名
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?苯甲酰氧化芍药苷生物活性




































描述
Benzoyloxypaeoniflorin 分离于 Paeonia suffruticosa 的根，是 tyrosinase 抑制剂，对蘑菇 tyrosinase 的 IC50为 0.453 mM。Benzoyloxypaeoniflorin 是 NF-κB 抑制剂，Benzoyloxypaeoniflorin 通过对血小板聚集和凝血的抑制作用，有助于改善血液循环。
相关类别



靶点

IC50: 0.453 mM (Mushroom tyrosinase)[1] NF-κB[2]
SMILES

O=C(C1=CC=C(O)C=C1)OC[C@]([C@@]([C@]2(O)O3)([H])C4)([C@]3([H])O[C@]5(C2)C)[C@]45O[C@]([C@@H]([C@@H](O)[C@@H]6O)O)([H])O[C@@H]6COC(C7=CC=CC=C7)=O
参考文献

[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.






?苯甲酰氧化芍药苷物理化学性质



































密度 1.6±0.0 g/cm3
沸点 789.1±0.0 °C at 760 mmHg
分子式 C30H32O13
分子量 600.567
闪点 258.6±0.0 °C
精确质量 600.184265
PSA 190.67000
LogP 5.22
蒸汽压 0.0±0.0 mmHg at 25°C
折射率 1.699
















?苯甲酰氧化芍药苷英文别名
























{(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








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