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CHEBI:8034 - peucedanin

ChEBI IDCHEBI:8034
ChEBI Namepeucedanin
Stars
DefinitionA member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively.
Last Modified25 February 2016
DownloadsMolfile
FormulaC15H14O4
Net Charge0
Average Mass258.273
Monoisotopic Mass258.08921
SMILESCOc1c(C(C)C)oc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
InChIKeyYQBNJPACAUPNLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Peucedanum tauricum (ncbitaxon:408989) - PubMed (24660466)
Opopanax hispidus (ncbitaxon:63019) aerial part (BTO:0001658) PubMed (25179742)
Lythrum salicaria (ncbitaxon:13129) - PubMed (24459770)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
peucedanin (CHEBI:8034) has role plant metabolite (CHEBI:76924)
peucedanin (CHEBI:8034) is a aromatic ether (CHEBI:35618)
peucedanin (CHEBI:8034) is a furanocoumarin (CHEBI:24128)
peucedanin (CHEBI:8034) is a lactone (CHEBI:25000)
IUPAC Name 
3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
Oreoselone methyl etherChemIDplus
3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-oneChemIDplus
6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactoneChemIDplus
4-Methoxy-5-isopropylfuro(2,3:6,7)coumarinChemIDplus
2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-oneIUPAC
Manual XrefsDatabases
C09283KEGG COMPOUND
C00002491KNApSAcK
LSM-3618LINCS
Registry NumbersSources
Reaxys:234473Reaxys
CAS:133-26-6KEGG COMPOUND
CAS:133-26-6ChemIDplus
Citations