Details
Stereochemistry | ACHIRAL |
Molecular Formula | C6H6O6 |
Molecular Weight | 174.1082 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C\C(=C/C(O)=O)C(O)=O
InChI
InChIKey=GTZCVFVGUGFEME-HNQUOIGGSA-N
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
Molecular Formula | C6H6O6 |
Molecular Weight | 174.1082 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including:
http://www.drugfuture.com/chemdata/Aconitic-Acid.html
http://www.accessdata.fda.gov/spl/data/c8b036c1-1366-4707-8f26-5778fc3335b7/c8b036c1-1366-4707-8f26-5778fc3335b7.xml
Curator's Comment: description was created based on several sources, including:
http://www.drugfuture.com/chemdata/Aconitic-Acid.html
http://www.accessdata.fda.gov/spl/data/c8b036c1-1366-4707-8f26-5778fc3335b7/c8b036c1-1366-4707-8f26-5778fc3335b7.xml
Aconitic Acid found in leaves and tubers of Aconitum napellus L., Ranunculaceae, in various species of Achillea (Compositae) and Equisetum (Equisetaceae), in beet root, and in sugar cane. It is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution. The limited data on trans-aconitic acid indicate it to be less toxic than citric acid. Trans-aconitate salts appear to be excreted readily by the kidneys. There is no direct evidence that trans-aconitic acid is utilized as is the cis-aconitic acid isomer in mammalian metabolism although non-specific oxidation probably occurs.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4612 Sources: http://www.ncbi.nlm.nih.gov/pubmed/924365 |
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Target ID: GO:0006979 Sources: http://www.ncbi.nlm.nih.gov/pubmed/27507497 |
70.0 mM [IC50] | ||
Target ID: 730249.0 Gene Symbol: ACOD1 |
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Target ID: P21399 Gene ID: 48.0 Gene Symbol: ACO1 Target Organism: Homo sapiens (Human) |
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Target ID: CHEMBL367 |
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Target ID: Aconitase |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Palliative | IMMUNO-BOOST Approved UseGRAS. Homeopathic drug is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution. |
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Palliative | IMMUNO-BOOST Approved UseGRAS. Homeopathic drug is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution. |
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Palliative | IMMUNO-BOOST Approved UseGRAS. Homeopathic drug is indicated for the temporary relief of symptoms of chronic illness including fatigue, effects of toxin buildup, slowed metabolism, weakened constitution. |
Sample Use Guides
In Vitro Use Guide
Sources: http://www.ncbi.nlm.nih.gov/pubmed/26692456
10-30 ug/ml of trans-aconitic acid inhibits TNF-α release in LPS-stimulated THP-1 cells up to75%
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:36:47 GMT 2023
by
admin
on
Fri Dec 15 17:36:47 GMT 2023
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Record UNII |
7DB37960CW
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Record Status |
Validated (UNII)
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Record Version |
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7DB37960CW
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