N8E

3,6,9,12,15-PENTAOXATRICOSAN-1-OL

Created: 2004-05-18
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count0
Bond Count61
Aromatic Bond Count0
2D diagram of N8E
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Chemical Component Summary

Name3,6,9,12,15-PENTAOXATRICOSAN-1-OL
SynonymsN-OCTYLPENTAOXYETHYLENE; PENTAETHYLENE GLYCOL MONOOCTYL ETHER; OCTYLPENTAGLYCOL N-OCTYLPENTAOXYETHYLENE
Systematic Name (OpenEye OEToolkits)2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
FormulaC18 H38 O6
Molecular Weight350.491
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(CCO)CCOCCOCCOCCOCCCCCCCC
SMILESCACTVS3.341CCCCCCCCOCCOCCOCCOCCOCCO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCOCCOCCOCCOCCOCCO
Canonical SMILESCACTVS3.341 CCCCCCCCOCCOCCOCCOCCOCCO
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCOCCOCCOCCOCCOCCO
InChIInChI1.03 InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
InChIKeyInChI1.03 MJELOWOAIAAUJT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08249 
Name3,6,9,12,15-PENTAOXATRICOSAN-1-OL
Groups experimental
Synonyms3,6,9,12,15-PENTAOXATRICOSAN-1-OL

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydroorotate dehydrogenase (quinone), mitochondrialMAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...unknown
Fatty acid oxidation complex subunit alphaMIYEGKAITVTALESGIVELKFDLKGESVNKFNRLTLNELRQAVDAIKAD...unknown
3-ketoacyl-CoA thiolaseMSLNPRDVVIVDFGRTPMGRSKGGMHRNTRAEDMSAHLISKVLERNSKVD...unknown
Ferripyoverdine receptorMPAPHGLSPLSKAFLMRRAFQRRILPHSLAMALSLPLAGYVQAQEVEFDI...unknown
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 159866