2-methoxy-6-(all-trans-octaprenyl)phenol (PAMDB110771)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110771
Identification
Name: 2-methoxy-6-(all-trans-octaprenyl)phenol
Description:A 2-methoxy-6-(all-trans-polyprenyl)phenol in which the substituent at position 6 is an all-trans-octaprenyl moiety.
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 2-methoxy-6-all-trans-octaprenylphenol
  • 2-octaprenyl-6-methoxyphenol
Chemical Formula: C47H72O2
Average Molecular Weight: 669.08
Monoisotopic Molecular Weight: 668.5532315554
InChI Key: MARGKPIMNMASKJ-CMAXTTDKSA-N
InChI: InChI=1S/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35,48H,11-17,20,22,24,26,28,30,32,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
CAS number: Not Available
IUPAC Name:2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]phenol
Traditional IUPAC Name: Not Available
SMILES:CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as polyprenylphenols. These are compounds containing a polyisoprene chain attached to a phenol group.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassPolyprenylphenols
Direct Parent Polyprenylphenols
Alternative Parents
Substituents
  • Tetraterpenoid
  • 2-polyprenyl-6-methoxyphenol
  • Polyprenylphenol
  • Methoxyphenol
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Methoxybenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • Benzenoid
  • Monocyclic benzene moiety
  • Ether
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular Framework Aromatic homomonocyclic compounds
External Descriptors
  • a 2-methoxy-6-\u003ci\u003eall-trans\u003c/i\u003e-polyprenylphenol (2-OCTAPRENYL-6-METHOXYPHENOL)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight669.091 g/molPubChem
XLogP3-AA16.5 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count2 PubChem
Rotatable Bond Count24 PubChem
Exact Mass668.553 g/molPubChem
Monoisotopic Mass668.553 g/molPubChem
Topological Polar Surface Area29.5 A^2PubChem
Heavy Atom Count49 PubChem
Formal Charge0 PubChem
Complexity1160 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count7 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References:
  • Hsu AY, Poon WW, Shepherd JA, Myles DC, Clarke CF (1996)Complementation of coq3 mutant yeast by mitochondrial targeting of the Escherichia coli UbiG polypeptide: evidence that UbiG catalyzes both O-methylation steps in ubiquinone biosynthesis. Biochemistry 35, Pubmed: 8703953
  • Poon WW, Barkovich RJ, Hsu AY, Frankel A, Lee PT, Shepherd JN, Myles DC, Clarke CF (1999)Yeast and rat Coq3 and Escherichia coli UbiG polypeptides catalyze both O-methyltransferase steps in coenzyme Q biosynthesis. The Journal of biological chemistry 274, Pubmed: 10419476
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI1235
ChemSpider4444383
IAF126046550
KEGGC05812
PubChem5280834