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CHEBI:82610 - 6-linalyl-2-O,3-dimethylflaviolin

Default Structure
ChEBI IDCHEBI:82610
ChEBI Name6-linalyl-2-O,3-dimethylflaviolin
Stars
ASCII Name6-linalyl-2-O,3-dimethylflaviolin
DefinitionA hydroxy-1,4-naphthoquinone that is 2-O-methylflaviolin in which the hydrogens at positions 3 and 6 are replaced by methyl and linalyl groups respectively.
Last Modified9 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILESC=CC(C)(CCC=C(C)C)c1c(O)cc2c(c1O)C(=O)C(C)=C(OC)C2=O
InChIInChI=1S/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3
InChIKeyVOXTWWMONIHUIK-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) has functional parent flaviolin (CHEBI:42646)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) has role bacterial metabolite (CHEBI:76969)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) is a enol ether (CHEBI:47985)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) is a olefinic compound (CHEBI:78840)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) is a phenols (CHEBI:33853)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) is conjugate acid of 6-linalyl-2-O,3-dimethylflaviolin-7-olate (CHEBI:78588)
Incoming Relation(s)
6-linalyl-2-O,3-dimethylflaviolin-7-olate (CHEBI:78588) is conjugate base of 6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610)
IUPAC Name 
6-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-2-methoxy-3-methyl-1,4-naphthoquinone
Manual XrefsDatabases
CPD-16659MetaCyc
Registry NumbersSources
Reaxys:21763058Reaxys
Citations