CHEBI:69830 - oxypeucedanin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oxypeucedanin
ChEBI ID CHEBI:69830
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7867
Supplier Information
Download Molfile XML SDF
Formula C16H14O5
Net Charge 0
Average Mass 286.27940
Monoisotopic Mass 286.08412
InChI InChI=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
InChIKey QTAGQHZOLRFCBU-ZDUSSCGKSA-N
SMILES CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12
Metabolite of Species Details
Peucedanum ostruthium (NCBI:txid1000424) Found in root (BTO:0001188). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Peucedanum ostruthium (NCBI:txid1000424) Found in rhizome (BTO:0001181). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
C00002490 KNApSAcK
C09282 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
26091-73-6 CAS Registry Number KEGG COMPOUND
26091-73-6 CAS Registry Number ChemIDplus
8561323 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21627108 PubMed citation Europe PMC
Last Modified
12 May 2015