CHEBI:18293 - 5-methoxypsoralen

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ChEBI Name 5-methoxypsoralen
ChEBI ID CHEBI:18293
Definition A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18235, CHEBI:2087, CHEBI:12142, CHEBI:12714, CHEBI:20599, CHEBI:21959, CHEBI:3067
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Formulae C12H8O4
C12H8O4
Net Charge 0
Average Mass 216.18950
Monoisotopic Mass 216.042
InChI InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChIKey BGEBZHIAGXMEMV-UHFFFAOYSA-N
SMILES COc1c2ccoc2cc2oc(=O)ccc12
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.
Application(s): hepatoprotective agent
Any compound that is able to prevent damage to the liver.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-methoxypsoralen (CHEBI:18293) has functional parent psoralen (CHEBI:27616)
5-methoxypsoralen (CHEBI:18293) has role hepatoprotective agent (CHEBI:62868)
5-methoxypsoralen (CHEBI:18293) has role plant metabolite (CHEBI:76924)
5-methoxypsoralen (CHEBI:18293) is a 5-methoxyfurocoumarin (CHEBI:52061)
5-methoxypsoralen (CHEBI:18293) is a organic heterotricyclic compound (CHEBI:26979)
5-methoxypsoralen (CHEBI:18293) is a psoralens (CHEBI:26369)
IUPAC Name
4-methoxy-7H-furo[3,2-g]chromen-7-one
Synonyms Sources
4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one NIST Chemistry WebBook
5-Methoxyfuranocoumarin KEGG COMPOUND
5-Methoxypsoralen KEGG COMPOUND
5-méthoxypsoralène ChEBI
Bergapten KEGG COMPOUND
bergapten UniProt
Bergaptene ChemIDplus
Heraclin ChemIDplus
Majudin ChemIDplus
O-Methylbergaptol KEGG COMPOUND
Database Links Databases
3021 DrugCentral
5-METHOXYFURANOCOUMARIN MetaCyc
Bergapten Wikipedia
C00000575 KNApSAcK
C01557 KEGG COMPOUND
D07521 KEGG DRUG
HMDB30637 HMDB
LSM-20001 LINCS
View more database links
Registry Numbers Types Sources
19560 Reaxys Registry Number Reaxys
484-20-8 CAS Registry Number KEGG COMPOUND
484-20-8 CAS Registry Number ChemIDplus
484-20-8 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
20433072 PubMed citation Europe PMC
22611312 PubMed citation Europe PMC
Last Modified
22 February 2017