Record Information
Version1.0
Creation date2018-04-10 10:05:51 UTC
Update date2018-04-16 14:20:36 UTC
FoodComEx IDPC001055
FoodDB RecordFDB002542
Chemical Information
NameBergapten
DescriptionMajor constit. of bergamot oil (Citrus bergamia). Present in celery, esp. the outer leaves, and other common grocery vegetables, Citrus fruit, and earl grey tea. Implicated in photodermatitis among grocery workers.
CAS Number484-20-8
Structure
Thumb
Synonyms
SynonymSource
4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-onebiospider
4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-oneChEBI
4-Methoxy-7H-furo[3,2-g]benzopyran-7-onedb_source
4-Methoxy-7H-furo[3,2-g]chromen-7-onebiospider
4-Methoxy-furo[3,2-g]chromen-7-onebiospider
4-Methoxyfuro[3,2-g]benzopyrane-7-onebiospider
5-Methoxy psoralenbiospider
5-Methoxy-6,7-furanocoumarinbiospider
5-Methoxyfuranocoumarinbiospider
5-MethoxypsoralenChEBI
5-Methoxypsoralen (obsol.)db_source
5-MethoxypsoraleneChEBI
5-MOPbiospider
6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactonebiospider
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-biospider
7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-biospider
Bergaptanbiospider
Bergaptendb_source
Bergaptenebiospider
Heraclindb_source
Majudindb_source
O-methylbergaptolbiospider
Pentadermbiospider
Psoradermbiospider
Chemical FormulaC12H8O4
IUPAC name4-methoxy-7H-furo[3,2-g]chromen-7-one
InChI IdentifierInChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChI KeyInChIKey=BGEBZHIAGXMEMV-UHFFFAOYSA-N
Isomeric SMILESCOC1=C2C=COC2=CC2=C1C=CC(=O)O2
Average Molecular Weight216
Monoisotopic Molecular Weight216
Chemical Taxonomy
ClassPolyphenols
FamilyFuranocoumarins
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 188°DFC
Foods of Origin
Celery, Earl grey tea, grapefruit, lime, parsnip...
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 5 mg
Delivery Time2 weeks
Storage Formpowder
Storage ConditionsNot Available
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr