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CHEBI:69830 - oxypeucedanin

ChEBI IDCHEBI:69830
ChEBI Nameoxypeucedanin
Stars
DefinitionA furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4.
Secondary ChEBI IDCHEBI:7867
Last Modified12 May 2015
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1
InChIKeyQTAGQHZOLRFCBU-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Peucedanum ostruthium (ncbitaxon:1000424)
root (BTO:0001188) PubMed (21627108) Dichloromethane extract of dried, powdered roots and rhizomes
rhizome (BTO:0001181) PubMed (21627108) Dichloromethane extract of dried, powdered roots and rhizomes
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)
oxypeucedanin (CHEBI:69830) has role plant metabolite (CHEBI:76924)
oxypeucedanin (CHEBI:69830) is a epoxide (CHEBI:32955)
oxypeucedanin (CHEBI:69830) is a furanocoumarin (CHEBI:24128)
oxypeucedanin (CHEBI:69830) is a lactone (CHEBI:25000)
IUPAC Name 
4-{[(2S)-3,3-dimethyloxiran-2-yl]methoxy}-7H-furo[3,2-g][1]benzopyran-7-one
Manual XrefsDatabases
C09282KEGG COMPOUND
C00002490KNApSAcK
Registry NumbersSources
Reaxys:8561323Reaxys
CAS:26091-73-6KEGG COMPOUND
CAS:26091-73-6ChemIDplus
Citations