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Bonducellpin D

Names

[ CAS No. ]:
197781-85-4

[ Name ]:
Bonducellpin D

[Synonym ]:
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

Biological Activity

[Description]:

Bonducellpin D is a furanoditerpenoid lactone isolated from Caesalpinia minax. Bonducellpin D exhibits broad-spectrum inhibition potential against SARS-CoV Mpro and MERS-CoV Mpro, with an Ki of 467.11 and 284.86 nM, respectively. Bonducellpin D also exhibits moderate anti-cancer activity in vitro[1][2][3].

[Related Catalog]:

Research Areas >> Cancer
Research Areas >> Infection
Signaling Pathways >> Anti-infection >> SARS-CoV

[Target]

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


[References]

[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.

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
518.5±50.0 °C at 760 mmHg

[ Melting Point ]:
216-217℃

[ Molecular Formula ]:
C22H28O7

[ Molecular Weight ]:
404.453

[ Flash Point ]:
267.4±30.1 °C

[ Exact Mass ]:
404.183502

[ PSA ]:
106.20000

[ LogP ]:
1.61

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.598

Safety Information

[ Hazard Codes ]:
Xi

Related Compounds