Kuwanon D
Kuwanon D is a prenylated flavanone found in the root bark of Morus alba L. Kuwanon D is predicted to be a high-affinity binder of SARS-CoV-2 main protease (Mpro), with favorable bioavailability and compliance with Lipinski's Rule of Five. Kuwanon D is an active component of Morus alba root bark identified as a lung cancer-related gene-targeting compound through network pharmacology screening. Kuwanon D is applicable to research related to COVID-19 and lung cancer.
For research use only. We do not sell to patients.
- CAS No.: 67172-84-3
- Formula: C25H26O6
- Molecular Weight:422.47
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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
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
Kuwanon D exhibits strong binding affinity for SARS-CoV-2 Mpro in molecular docking, with a binding energy of -8.9 kcal/mol, and forms a hydrogen bond with Gly-143[2].
Kuwanon D (100 ns)\nDuring MD simulations, the complex structure of Kuwanon D and SARS-CoV-2 Mpro remains stable, with an average backbone RMSD of 1.43 Å and an average RoG of 21.71 Å[2].
Kuwanon D (70-100 ns) binds spontaneously to SARS-CoV-2 Mpro. The binding free energy calculated by MM-PBSA is -24.16 kcal/mol. The binding interaction is mainly driven by van der Waals interactions, and Met-49 and Met-165 are key contributing residues[2].
Kuwanon D is one of the key active components of Cortex Mori. In a drug-disease interaction network comprising 163 targets, it acts on multiple lung cancer-related genes[3].
Kuwanon D reacts with a ferric chloride methanol solution to produce a deep purplish-red color. It yields positive results in the magnesium-hydrochloric acid test and sodium borohydride test, but a negative result in the zinc-hydrochloric acid test[1].
Kuwanon D is a drug-like compound that satisfies all of Lipinski's rules, with a bioavailability score of 0.55[2].
Kuwanon D is an active component of Cortex Mori, with an oral bioavailability of 31.09% and a drug-likeness score of 0.80, which meet the preset screening thresholds[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
Chemical Information
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CAS No. 67172-84-3
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Molecular Weight 422.47
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Formula C25H26O6
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SMILES
O=C1C2=C(OC(C1)C3=C(O)C=C(OC4(CCC5C4C6C5(C)C)C)C6=C3)C=C(O)C=C2O
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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.
Protocols
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Protocol for Pharmacokinetic Study
Pharmacokinetic studies quantify how an organism handles a drug over time through absorption, distribution, metabolism, and excretion, and the core experimental readout is the concentration-time profile of parent drug and, when relevant, metabolites in biological matrices such as plasma, whole blood, urine, bile, or tissue. Pharmacokinetic analysis links dose, route, exposure, clearance, half-life, distribution, bioavailability, and systemic exposure to drug efficacy and toxicity hypotheses rather than measuring a signaling pathway directly. The literature links pharmacokinetics to drug-development phenotypes by showing that drug metabolism and pharmacokinetics influence compound progression, exposure-response interpretation, safety margins, dosing strategy, and failure risk during discovery and development. DMPK science contributes to compound optimization by integrating physicochemical properties, in vitro metabolism, transporter behavior, in vivo exposure, and pharmacodynamic contex
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Kuwanon D Related Classifications
HY-N21559 Related Classifications
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