Name: Benzoyloxypaeoniflorin
Rating: 5 (10 reviews)

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HIT ID:HIT212661063
Cas No:72896-40-3
常用名:Benzoyloxypaeoniflorin
别名:苯甲酰氧芍药苷, 苯甲酰氧化芍药苷, Benzoyloxypeoniflorin
别名:苯甲酰氧芍药苷, 苯甲酰氧化芍药苷, Benzoyloxypeoniflorin
IUPAC:[(1R,2S,3R,5R,6R,8S)-3-{[(2S,3R,4S,5S,6R)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl 4-hydroxybenzoate
IUPAC:[(1R,2S,3R,5R,6R,8S)-3-{[(2S,3R,4S,5S,6R)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl 4-hydroxybenzoate
InChI key:VIWQCBZFJFSCLC-HRCYFWENSA-N

分子式:C30H32O13
分子量:600.573
氢键供体数 (HBD):5
氢键受体数 (HBA):11
LogP:1.8051846
SMILES:C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |TLB:23:22:20.2.3:6.7,0:1:20:5.6,5:3:22:6.7,5:6:22:20.2.3,THB:21:20:22.1.2:5.6,21:22:20:5.6,21:20:22:6.7,21:22:20.2.3:6.7,23:22:20:5.6,4:3:22:6.7,7:1:20:5.6,7:6:20:22.1.2|
SMILES:C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |TLB:23:22:20.2.3:6.7,0:1:20:5.6,5:3:22:6.7,5:6:22:20.2.3,THB:21:20:22.1.2:5.6,21:22:20:5.6,21:20:22:6.7,21:22:20.2.3:6.7,23:22:20:5.6,4:3:22:6.7,7:1:20:5.6,7:6:20:22.1.2|

Benzoyloxypaeoniflorin (Benzoyloxypeoniflorin) 是一种酪氨酸酶抑制剂，分离于Paeonia suffruticosa 的根，对mushroom tyrosinase 的 IC50为 0.453 mM。它是一种NF-κB 抑制剂，它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。

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