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CHEBI:5885 - imperatorin

ChEBI IDCHEBI:5885
ChEBI Nameimperatorin
Stars
DefinitionA member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.
Secondary ChEBI IDCHEBI:66070
Last Modified24 February 2016
DownloadsMolfile

FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILESCC(C)=CCOc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
InChIKeyOLOOJGVNMBJLLR-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Angelica koreana (ncbitaxon:182415) root (BTO:0001188) PubMed (17396918)
Angelica dahurica (ncbitaxon:48101) root (BTO:0001188) PubMed (12510838)
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

ChEBI Ontology
IUPAC Name 
9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
ImperatorinKEGG COMPOUND
AmmidinChemIDplus
PentosalenChemIDplus
MarmelosinChemIDplus
8-IsopentenyloxypsoraleneChemIDplus
9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-oneChEBI
Manual XrefsDatabases
C09269KEGG COMPOUND
ImperatorinWikipedia
HMDB0034376HMDB
KR20120060192Patent
CN102349891Patent
WO2011160597Patent
C00002477KNApSAcK
LSM-2140LINCS
Registry NumbersSources
Reaxys:249728Reaxys
CAS:482-44-0KEGG COMPOUND
CAS:482-44-0ChemIDplus
Citations