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CHEBI:18293 - 5-methoxypsoralen

ChEBI IDCHEBI:18293
ChEBI Name5-methoxypsoralen
Stars
DefinitionA 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.
Secondary ChEBI IDsCHEBI:2087, CHEBI:3067, CHEBI:12142, CHEBI:12714, CHEBI:18235, CHEBI:20599, CHEBI:21959
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H8O4
Net Charge0
Average Mass216.192
Monoisotopic Mass216.04226
SMILESCOc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChIKeyBGEBZHIAGXMEMV-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.
Application:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
ChEBI Ontology
Outgoing Relation(s)
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  Source
5-MethoxyfuranocoumarinKEGG COMPOUND
BergaptenKEGG COMPOUND
5-MethoxypsoralenKEGG COMPOUND
O-MethylbergaptolKEGG COMPOUND
HeraclinChemIDplus
BergapteneChemIDplus
UniProt Name  Source
bergaptenUniProt
Manual XrefsDatabases
C01557KEGG COMPOUND
5-METHOXYFURANOCOUMARINMetaCyc
BergaptenWikipedia
HMDB0030637HMDB
D07521KEGG DRUG
C00000575KNApSAcK
LSM-20001LINCS
3021DrugCentral
Registry NumbersSources
Reaxys:19560Reaxys
CAS:484-20-8KEGG COMPOUND
CAS:484-20-8ChemIDplus
CAS:484-20-8NIST Chemistry WebBook
Citations