Not AvailableNot AvailableNot Available
Common Name6-methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol
Description6-methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol, also known as 2-hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol or 5-methoxy-2-methyl-3-hexaprenylhydroquinone, is a member of the class of compounds known as 2-polyprenyl-6-methoxyphenols. 2-polyprenyl-6-methoxyphenols are compounds containing a polyisoprene chain attached at the 2-position of a 6-methoxyphenol group. 6-methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol can be found in a number of food items such as sweet basil, soursop, pineapple, and ohelo berry, which makes 6-methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol a potential biomarker for the consumption of these food products. 6-methoxy-3-methyl-2-all-trans-hexaprenyl-1,4-benzoquinol may be a unique E.coli metabolite.
Structure
Molecular FormulaC38H58O3
Average Mass562.87900
Monoisotopic Mass562.43860
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESCOc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O
InChI IdentifierInChI=1S/C38H58O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27,39-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+
InChI KeyATQQULXELMEJIX-NSUIJKAQSA-N
CHEBI IDCHEBI:61473
HMDB IDHMDB0304230
StateNot Available
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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