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Chemical Structure| 80681-44-3 Chemical Structure| 80681-44-3

Structure of Sec-O-Glucosylhamaudol
CAS No.: 80681-44-3

Chemical Structure| 80681-44-3

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Sec-O-glucosylhamaudol is one of the active ingredients isolated and purified from the herb of Ledebouriella seseloides.

Synonyms: Hamaudol 3-glucoside

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Product Citations

Product Citations

Gil Martín, Guillermo ;

Abstract: The liver receptor homologue 1 or , also known as NR5A2, is a nuclear receptor that acts as a transcription factor, promoting the transcription of genes involved in various processes such as metabolism, growth, and cell differentiation. Its therapeutic potential has been demonstrated in multiple studies, thus, the development of drugs that target could be a new opportunity for the treatment of cancerous, metabolic, and immune diseases. In this work we have searched for new molecules that are capable of binding to this receptor through a virtual screening strategy, using several molecular docking programs and consensus methods that improve search performance. All with the aim of finding potential activators or inhibitors of the receptor from a library of natural compounds commercially available and to be able to bring these molecules to experimental assays. Analyzing the computational results, five candidate ligands whose pharmacokinetic properties are favorable have been proposed, thus suggesting that in the future, in vitro and in vivo bioassays could be carried out to verify their therapeutic potential for the treatment of the aforementioned diseases.

Keywords: ; cancer ; ; virtual screening ; bioavailability ; drug discovery

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Product Details of Sec-O-Glucosylhamaudol

CAS No. :80681-44-3
Formula : C21H26O10
M.W : 438.43
SMILES Code : O=C1C2=C(C3=C(OC(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3)C=C2OC(C)=C1)O
Synonyms :
Hamaudol 3-glucoside
MDL No. :MFCD11042255
InChI Key :QVUPQEXKTXSMKX-JJDILSOYSA-N
Pubchem ID :10478277

Safety of Sec-O-Glucosylhamaudol

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Related Pathways of Sec-O-Glucosylhamaudol

GPCR

Isoform Comparison

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.28mL

0.46mL

0.23mL

11.40mL

2.28mL

1.14mL

22.81mL

4.56mL

2.28mL

Dissolving Methods
Please choose the appropriate dissolution scheme according to your animal administration guide.For the following dissolution schemes, clear stock solution should be prepared according to in vitro experiments, and then cosolvent should be added in turn:

in order to ensure the reliability of the experimental results, the clarified stock solution can be properly preserved according to the storage conditions; The working fluid for in vivo experiment is recommended to be prepared now and used on the same day;

The percentage shown in front of the following solvent refers to the volume ratio of the solvent in the final solution; If precipitation or precipitation occurs in the preparation process, it can be assisted by heating and/or ultrasound.
Protocol 1
Protocol 2

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