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CHEBI:134359 - 8-geranylesculetin

Default Structure
ChEBI IDCHEBI:134359
ChEBI Name8-geranylesculetin
Stars
DefinitionA member of the class of hydroxycoumarins that is esculetin in which the ring hydrogen at position 8 has been replaced by a geranyl group.
Last Modified19 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2ccc(=O)oc12
InChIInChI=1S/C19H22O4/c1-12(2)5-4-6-13(3)7-9-15-18(22)16(20)11-14-8-10-17(21)23-19(14)15/h5,7-8,10-11,20,22H,4,6,9H2,1-3H3/b13-7+
InChIKeyUFGRMMQWQBIHJB-NTUHNPAUSA-N
ChEBI Ontology
Outgoing Relation(s)
8-geranylesculetin (CHEBI:134359) has functional parent esculetin (CHEBI:490095)
8-geranylesculetin (CHEBI:134359) is a hydroxycoumarin (CHEBI:37912)
8-geranylesculetin (CHEBI:134359) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,7-dihydroxy-2H-1-benzopyran-2-one
Synonym  Source
8-geranyl-6,7-dihydroxycoumarinChEBI
UniProt Name  Source
8-geranylesculetinUniProt
Manual XrefsDatabases
C21496KEGG COMPOUND
Citations