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CHEBI:78590 - 7-O-geranyl-2-O,3-dimethylflaviolin

ChEBI IDCHEBI:78590
ChEBI Name7-O-geranyl-2-O,3-dimethylflaviolin
Stars
ASCII Name7-O-geranyl-2-O,3-dimethylflaviolin
DefinitionA hydroxy-1,4-naphthoquinone that is 3-methylflaviolin in which the hydroxyl hydrogens at positions 2 and 7 are replaced by methyl and geranyl groups respectively.
Last Modified9 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILESCOC1=C(C)C(=O)c2c(O)cc(OC/C=C(\C)CCC=C(C)C)cc2C1=O
InChIInChI=1S/C22H26O5/c1-13(2)7-6-8-14(3)9-10-27-16-11-17-19(18(23)12-16)20(24)15(4)22(26-5)21(17)25/h7,9,11-12,23H,6,8,10H2,1-5H3/b14-9+
InChIKeyJSICQLYEVMVRNL-NTEUORMPSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) has functional parent flaviolin (CHEBI:42646)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) has role bacterial metabolite (CHEBI:76969)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) is a enol ether (CHEBI:47985)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) is a olefinic compound (CHEBI:78840)
7-O-geranyl-2-O,3-dimethylflaviolin (CHEBI:78590) is a phenols (CHEBI:33853)
IUPAC Name 
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-hydroxy-2-methoxy-3-methyl-1,4-naphthoquinone
Synonym  Source
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-hydroxy-2-methoxy-3-methylnaphthalene-1,4-dioneSUBMITTER
UniProt Name  Source
7-O-geranyl-2-O,3-dimethylflaviolinUniProt
Manual XrefsDatabases
CPD-16662MetaCyc
Registry NumbersSources
Reaxys:21763057Reaxys
Citations