EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60656 - 5-methoxy-2-methyl-3-octaprenylhydroquinone

ChEBI IDCHEBI:60656
ChEBI Name5-methoxy-2-methyl-3-octaprenylhydroquinone
Stars
DefinitionA polyprenylhydroquinone in which the polyprenyl substituent is octaprenyl at C-3; methoxy and methyl groups are also present at C-5 and C-2 respectively.
Last Modified25 September 2024
SubmitterEugeni Belda
DownloadsMolfile
FormulaC48H74O3
Net Charge0
Average Mass699.117
Monoisotopic Mass698.56380
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)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O
InChIInChI=1S/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+
InChIKeyHDSGDGSLNMIMKU-KFSSTAEESA-N
ChEBI Ontology
Outgoing Relation(s)
5-methoxy-2-methyl-3-octaprenylhydroquinone (CHEBI:60656) is a 2-methoxy-5-methyl-6-all-trans-polyprenylhydroquinone (CHEBI:84167)
IUPAC Name 
5-methoxy-2-methyl-3-[(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]benzene-1,4-diol
Synonyms  Source
2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinolChEBI
5-methoxy-2-methyl-3-octaprenylquinolChEBI
6-methoxy-3-methyl-2-octaprenylquinolChEBI
3-octaprenyl-2-methyl-5-methoxy-1,4-benzoquinolChEBI
6-methoxy-3-methyl-2-octaprenylhydroquinoneChEBI
UniProt Name  Source
5-methoxy-2-methyl-3-(all-trans-octaprenyl)benzene-1,4-diolUniProt
Manual XrefsDatabases
OCTAPRENYL-METHYL-METHOXY-BENZQMetaCyc