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CHEBI:18358 - methoxsalen

ChEBI IDCHEBI:18358
ChEBI Namemethoxsalen
Stars
DefinitionA member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.
Secondary ChEBI IDsCHEBI:10068, CHEBI:12268, CHEBI:12715, CHEBI:21960, CHEBI:27330, CHEBI:27331, CHEBI:29040, CHEBI:40342, CHEBI:101063
Last Modified19 June 2017
DownloadsMolfile

FormulaC12H8O4
Net Charge0
Average Mass216.192
Monoisotopic Mass216.04226
SMILESCOc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKeyQXKHYNVANLEOEG-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Ammi majus (ncbitaxon:48026) - PubMed (15009205)
Roles Classification

ChEBI Ontology
IUPAC Name 
9-methoxy-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
XanthotoxinKEGG COMPOUND
MethoxsalenKEGG COMPOUND
8-MethoxyfuranocoumarinKEGG COMPOUND
O-methylxanthotoxolChEBI
8-methoxypsoralenChemIDplus
9-methoxy-7H-furo[3,2-g][1]benzopyran-7-oneNIST Chemistry WebBook
Brand Names  Source
MeladinineDrugBank
OxsoralenDrugBank
Ultra MopDrugBank
UvadexDrugBank
MeloxineChemIDplus
UniProt Name  Source
xanthotoxinUniProt
Manual XrefsDatabases
C01864KEGG COMPOUND
D00139KEGG DRUG
8MOPDBeChem
DB00553DrugBank
US2889337Patent
MethoxsalenWikipedia
HMDB0014693HMDB
C00000576KNApSAcK
LSM-3410LINCS
30DrugCentral
Registry NumbersSources
Reaxys:196453Reaxys
CAS:298-81-7KEGG COMPOUND
CAS:298-81-7ChemIDplus
CAS:298-81-7NIST Chemistry WebBook
Citations