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CHEBI:27616 - psoralen

ChEBI IDCHEBI:27616
ChEBI Namepsoralen
Stars
DefinitionThe simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.
Secondary ChEBI IDsCHEBI:8615, CHEBI:26368, CHEBI:378534
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H6O3
Net Charge0
Average Mass186.166
Monoisotopic Mass186.03169
SMILESO=c1ccc2cc3ccoc3cc2o1
InChIInChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKeyZCCUUQDIBDJBTK-UHFFFAOYSA-N
Wikipedia
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)
psoralen (CHEBI:27616) has role plant metabolite (CHEBI:76924)
psoralen (CHEBI:27616) is a psoralens (CHEBI:26369)
Incoming Relation(s)
5-methoxy-8-(2'-hydroxy-3'-buthoxy-3'-methylbutyloxy)psoralen (CHEBI:66697) has functional parent psoralen (CHEBI:27616)
5-methoxypsoralen (CHEBI:18293) has functional parent psoralen (CHEBI:27616)
methoxsalen (CHEBI:18358) has functional parent psoralen (CHEBI:27616)
IUPAC Name 
7H-furo[3,2-g]chromen-7-one
Synonyms  Source
PsoralenKEGG COMPOUND
FicusinKEGG COMPOUND
7H-furo[3,2-g][1]benzopyran-7-oneNIST Chemistry WebBook
3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid δ-lactoneNIST Chemistry WebBook
furo[2',3':7,6]coumarinNIST Chemistry WebBook
furo[4',5':6,7]coumarinNIST Chemistry WebBook
Brand Name  Source
ManadermKEGG DRUG
UniProt Name  Source
psoralenUniProt
Manual XrefsDatabases
C09305KEGG COMPOUND
D08450KEGG DRUG
PsoralenWikipedia
C00000297KNApSAcK
Registry NumbersSources
Reaxys:152784Reaxys
CAS:66-97-7KEGG COMPOUND
CAS:66-97-7NIST Chemistry WebBook
CAS:66-97-7ChemIDplus
Citations