Withametelin B
Withametelin B is a hexacyclic withanolide that can be isolated from Datura metel leaves. Withametelin B can bind to Bcl-2.
For research use only. We do not sell to patients.
- CAS No.: 123523-09-1
- Formula: C28H36O5
- Molecular Weight:452.58
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Withametelin B binds to purified Bcl-2 (PDB ID 6O0K) with a binding affinity of -8.8 kcal/mol, interacting with key functional residues of the protein's BH1 domain[1].
Withametelin B binds to Bcl-2 with a favorable binding free energy of -32.22 kJ/mol, confirming a strong stable interaction[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 123523-09-1
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Molecular Weight 452.58
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Formula C28H36O5
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SMILES
C[C@@]12[C@](CC[C@]2([H])[C@@]3([H])[C@@]4([H])C[C@@](OC3)(C(C(O4)=O)=C)C)([H])[C@@]5([H])[C@@](CC1)([H])[C@@]6(C([C@@H](C5)O)=CC=CC6=O)C
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Structure Classification
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Initial Source
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
[1]. Alkhathami AG, et al. Phytochemicals Daturilinol and Withametelin B identified as novel Bcl2 inhibitors via virtual screening and molecular simulations. Sci Rep. 2025;15(1):33029. Published 2025 Sep 26. [Content Brief]
[2]. Mohini Gupta, et al. Additional Withanolides of Datura metel. J. Nat. Prod. 1991, 54, 2, 599-602.
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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