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Bonducellpin D

Bonducellpin D

USD$0.00

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?Bonducellpin D名称














英文名

(3bS,3b1R,5aR,6S,6aR,10S,10aS,10bS)-6a,10-dihydroxy-7,7,10a-trimethyl-4-oxo-3b,3b1,5a,6,6a,7,8,9,10,10a,10b,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6-yl acetate
英文别名
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?Bonducellpin D生物活性




































描述
Bonducellpin D 是一种从 Caesalpinia minax 中分离出来呋喃二萜类内酯。 Bonducellpin D 表现出对 SARS-CoV Mpro 和 MERS-CoV Mpro 的广谱抑制能力，Ki 值分别为 467.11 和 284.86 nM。Bonducellpin D 在体外表现出中等的抗癌活性。
相关类别




靶点

Ki: 467.11 nM (SARS-CoV Mpro), 284.86 nM (MERS-CoV Mpro)[1]
SMILES

O[C@]([C@H]1OC(C)=O)(C(C)(CC2)C)[C@@]([C@](CC(OC=C3)=C3[C@]45[H])([H])[C@@]4([H])[C@@]1([H])OC5=O)([C@H]2O)C
参考文献

[1]. Gurung AB, et, al. Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 M pro enzyme through in silico approach. Life Sci. 2020 Aug 15;255:117831.

[2]. Zheng Y, et, al. Caesalminaxins A-L, cassane diterpenoids from the seeds of Caesalpinia minax. J Nat Prod. 2013 Dec 27; 76(12): 2210-8.

[3]. Jiang RW, et, al. Molecular structures and antiviral activities of naturally occurring and modified cassane furanoditerpenoids and friedelane triterpenoids from Caesalpinia minax. Bioorg Med Chem. 2002 Jul;10(7):2161-70.






?Bonducellpin D物理化学性质





































密度 1.4±0.1 g/cm3
沸点 518.5±50.0 °C at 760 mmHg
熔点 216-217℃
分子式 C22H28O7
分子量 404.453
闪点 267.4±30.1 °C
精确质量 404.183502
PSA 106.20000
LogP 1.61
蒸汽压 0.0±1.4 mmHg at 25°C
折射率 1.598
















?Bonducellpin D英文别名


















Bonducellpin D


4H-Phenanthro[3,2-b:10,1-b'c']difuran-4-one, 6-(acetyloxy)-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-6a,10-dihydroxy-7,7,10a-trimethyl-, (3bS,5aR,6S,6aR,10S,10aS,10bS,10cR)-


(3bS,5aR,6S,6aR,10S,10aS,10bS,10cR)-6a,10-Dihydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4H-furo[3',2':2,3]phenanthro[10,1-bc]furan-6-yl acetate








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