Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H32O2 |
Molecular Weight | 328.4883 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 6 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
InChI
InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/28314621Curator's Comment: description was created based on several sources, including
https://www.hsph.harvard.edu/nutritionsource/omega-3-fats/ |
https://www.ncbi.nlm.nih.gov/pubmed/24352849 |
https://www.fda.gov/Cosmetics/ProductsIngredients/Products/ucm134064.htm
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28314621
Curator's Comment: description was created based on several sources, including
https://www.hsph.harvard.edu/nutritionsource/omega-3-fats/ |
https://www.ncbi.nlm.nih.gov/pubmed/24352849 |
https://www.fda.gov/Cosmetics/ProductsIngredients/Products/ucm134064.htm
Doconexent (Docosahexaenoic acid, DHA) is an omega-3 fatty acid that is a primary structural component of the human brain, cerebral cortex, skin, and retina. DHA is widely used as a food supplement, and is beleived to support healthy brain development in young childred, prevent cardiovascular disease and cognitive decline during Alzheimer's disease. Most of these claims, however, were not supported by clinical trials. DHA spray is used as a tanner.
CNS Activity
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: CHEMBL2095229 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1371883 |
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Target ID: map04064 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26359712 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Primary | Unknown Approved UseUnknown |
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Preventing | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Palliative | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
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Nutrition and cognitive function. | 1997 Apr |
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Human plasma albumin transports [13C]docosahexaenoic acid in two lipid forms to blood cells. | 1997 Aug |
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Differential distribution and metabolism of arachidonic acid and docosahexaenoic acid by human placental choriocarcinoma (BeWo) cells. | 1998 Aug |
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Evidence for the unique function of docosahexaenoic acid during the evolution of the modern hominid brain. | 1999 |
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Is there a relation between docosahexaenoic acid concentration in mothers' milk and visual development in term infants? | 2001 Mar |
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Free fatty acids regulate insulin secretion from pancreatic beta cells through GPR40. | 2003 Mar 13 |
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Effects of hyperglycemia and hypercapnia on lipid metabolism during complete brain ischemia. | 2004 Dec 24 |
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Protective effects of dietary enrichment with docosahexaenoic acid plus protein in 5-fluorouracil-induced intestinal injury in the rat. | 2004 May |
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Rainbow trout (Oncorhynchus mykiss) brain cells biosynthesize novel docosahexaenoic acid-derived resolvins and protectins-Mediator lipidomic analysis. | 2005 Dec |
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Mechanism of docosahexaenoic acid-induced inhibition of in vitro Abeta1-42 fibrillation and Abeta1-42-induced toxicity in SH-S5Y5 cells. | 2009 Oct |
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Kinetics of docosahexaenoic acid ethyl ester accumulation in dog plasma and brain. | 2016 Oct |
Patents
Sample Use Guides
Doconexent is administered with food or as an oral supplement, or topically with food.
Route of Administration:
Other
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1371883
DHA reduces calcium uptake in rat cardiac myocytes exposed to oubain (0.1 mM) after incubation for 4 days with 5 uM DHA added to medium. Calcium uptake was measured after addition of tracer 45Ca2+ to the 1.0 mM calcium in the bathing medium.
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LIVERTOX |
319
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NCI_THESAURUS |
C493
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75095-0
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90914-3
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FDA ORPHAN DRUG |
432814
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141701
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90908-5
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88999-8
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35174-2
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456414
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DSLD |
1010 (Number of products:2932)
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NCI_THESAURUS |
C68345
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FDA ORPHAN DRUG |
454314
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450214
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LOINC |
90911-9
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DSLD |
4096 (Number of products:5)
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LOINC |
88995-6
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25167-62-8
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1006469
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m4713
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25377-50-8
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DB03756
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DOCOSAHEXAENOIC ACID
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28125
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144450
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731
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SUB121918
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4289
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445580
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CHEMBL367149
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C68346
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1224609
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)
SALT/SOLVATE (PARENT)