Thesinine
Thesinine is a saturated pyrrolizidine alkaloid and the primary alkaloid found in the seeds and flowers of Borago officinalis. Thesinine binds to AKT1, MAPK3, MMP9, and MAPK14 proteins as predicted by in silico analysis. Thesinine is applicable to research related to skin aging
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- No. CAS: 488-02-8
- Fòrmula: C17H21NO3
- Peso molecular:287.35
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Almacenamiento:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Chemical Information
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Actividad biológica
Descripciòn
IC50 & Target
[1]|
Akt1 |
MMP9 |
MAPK3 |
MAPK14 |
In Vitro
Thesinine forms energetically favorable interactions with human AKT1 (allosteric site), MAPK3, MMP9, and MAPK14 proteins, among which it exhibits the highest binding affinity for AKT1 (allosteric site)[1].
Thesinine forms stable and persistent interactions with human AKT1 (allosteric site) and MMP9 proteins during 100 ns molecular dynamics simulations, but its binding stability with human MAPK14 is reduced[1].
Thesinine is the sole alkaloid in the flowers of borage (Borago officinalis) and also the major alkaloid in mature seeds[2].
Thesinine is the only detected alkaloid in a batch of immature seeds, while it is not detected in any of the three seed oil samples[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
Chemical Information
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No. CAS 488-02-8
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Peso molecular 287.35
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Fòrmula C17H21NO3
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SMILES
OC(C=C1)=CC=C1/C=C/C(OC[C@H]2[C@]3([H])N(CCC3)CC2)=O
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Structure Classification
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Initial Source
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureza y Documentación
Referencias
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Thesinine Related Classifications
HY-N21965 Related Classifications
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