Not AvailableNot AvailableNot Available
Common Name2-methoxy-6-all-trans-hexaprenyl-1,4-benzoquinol
Description2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol, also known as 6-methoxy-2-hexaprenylhydroquinone or 2-hexaprenyl-6-methoxy-1,4-benzoquinol, 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. 2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol can be found in a number of food items such as cottonseed, lentils, caraway, and black cabbage, which makes 2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol a potential biomarker for the consumption of these food products. 2-methoxy-6-(all-trans-hexaprenyl)-1,4-benzoquinol may be a unique E.coli metabolite.
Structure
Molecular FormulaC37H56O3
Average Mass548.85200
Monoisotopic Mass548.42295
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESCOc1cc(O)cc(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/C37H56O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27,38-39H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+
InChI KeyZAGWHOPYPMUKOK-FRICUITQSA-N
CHEBI IDCHEBI:61472
HMDB IDHMDB0304075
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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