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CHEBI:27616 - psoralen

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ChEBI Name psoralen
ChEBI ID CHEBI:27616
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:378534, CHEBI:26368, CHEBI:8615
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Formulae C11H6O3
C11H6O3
Net Charge 0
Average Mass 186.16354
Monoisotopic Mass 186.032
InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChIKey ZCCUUQDIBDJBTK-UHFFFAOYSA-N
SMILES O=c1ccc2cc3ccoc3cc2o1
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 psoralen (CHEBI:27616) has role plant metabolite (CHEBI:76924)
psoralen (CHEBI:27616) is a psoralens (CHEBI:26369)
Incoming 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 Sources
3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid δ-lactone NIST Chemistry WebBook
6,7-furanocoumarin NIST Chemistry WebBook
6-hydroxy-5-benzofuranacrylic acid δ-lactone NIST Chemistry WebBook
7H-furo[3,2-g][1]benzopyran-7-one NIST Chemistry WebBook
Ficusin KEGG COMPOUND
furo[2',3':7,6]coumarin NIST Chemistry WebBook
furo[4',5':6,7]coumarin NIST Chemistry WebBook
furocoumarin ChemIDplus
Psoralen KEGG COMPOUND
psoralen UniProt
psoralène ChEBI
Brand Name Source
Manaderm KEGG DRUG
Database Links Databases
C00000297 KNApSAcK
C09305 KEGG COMPOUND
D08450 KEGG DRUG
Psoralen Wikipedia
View more database links
Registry Numbers Types Sources
152784 Reaxys Registry Number Reaxys
152784 Beilstein Registry Number Beilstein
66-97-7 CAS Registry Number KEGG COMPOUND
66-97-7 CAS Registry Number NIST Chemistry WebBook
66-97-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20196083 PubMed citation Europe PMC
21468912 PubMed citation Europe PMC
Last Modified
28 July 2014