Chemical Component Summary

NameDOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
Identifiers(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
FormulaC22 H32 O2
Molecular Weight328.488
TypeNON-POLYMER
Isomeric SMILESCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
InChIInChI=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-
InChIKeyMBMBGCFOFBJSGT-KUBAVDMBSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count55
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03756 
NameDoconexent
Groups
  • approved
  • investigational
DescriptionA mixture of fish oil and primrose oil, doconexent is used as a high-docosahexaenoic acid (DHA) supplement. DHA is a 22 carbon chain with 6 cis double bonds with anti-inflammatory effects. It can be biosythesized from alpha-linolenic acid or commercially manufactured from microalgae. It is an omega-3 fatty acid and primary structural component of the human brain, cerebral cortex, skin, and retina thus plays an important role in their development and function. The amino-phospholipid DHA is found at a high concentration across several brain subcellular fractions, including nerve terminals, microsomes, synaptic vesicles, and synaptosomal plasma membranes [A19436].
Synonyms
  • 22:6-4, 7,10,13,16,19
  • (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
  • Doconexent
  • DHA
  • cervonic acid
Brand Names
  • PreferaOB One
  • Animi-3
  • CitraNatal Harmony
  • Re Ob 90 DHA
  • Natalvirt 90dha
IndicationUsed as a high-docosahexaenoic acid (DHA) oral supplement.
Categories
  • Cytochrome P-450 CYP2C9 Inhibitors
  • Cytochrome P-450 CYP2C9 Inhibitors (strength unknown)
  • Cytochrome P-450 CYP2C9 Substrates
  • Cytochrome P-450 Enzyme Inhibitors
  • Cytochrome P-450 Substrates
CAS number6217-54-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Peroxisome proliferator-activated receptor alphaMVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...unknownactivator
Peroxisome proliferator-activated receptor gammaMGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...unknownactivator
Retinoic acid receptor RXR-alphaMDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP...unknownactivator
Retinoic acid receptor RXR-betaMSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAA...unknownactivator
Retinoic acid receptor RXR-gammaMYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPV...unknownactivator
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 445580
ChEMBL CHEMBL367149
ChEBI CHEBI:28125