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Revision as of 11:22, 24 October 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey').← Previous edit Revision as of 12:49, 28 October 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'KEGG', 'CASNo').Next edit →
Line 5: Line 5:
| OtherNames = Isopsoralen | OtherNames = Isopsoralen
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = 523-50-2 | CASNo = <!-- blanked - oldvalue: 523-50-2 -->
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| ChEBI = 28928 | ChEBI = 28928
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| ChEMBL = 53569 | ChEMBL = 53569
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C09060 | KEGG = <!-- blanked - oldvalue: C09060 -->
| ChemSpiderID = 10208 | ChemSpiderID = 10208
| SMILES = O=C\2Oc3c1ccoc1ccc3/C=C/2 | SMILES = O=C\2Oc3c1ccoc1ccc3/C=C/2

Revision as of 12:49, 28 October 2011

Angelicin
Names
IUPAC name 2H-Furochromen-2-one
Other names Isopsoralen
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.164.795 Edit this at Wikidata
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6HKey: XDROKJSWHURZGO-UHFFFAOYSA-N
  • InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
SMILES
  • O=C\2Oc3c1ccoc1ccc3/C=C/2
Properties
Chemical formula C11H6O3
Molar mass 186.166 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Angelicin is a furanocoumarin. It can be found in Bituminaria bituminosa. It is present in the list of IARC Group 3 carcinogens (Angelicin plus ultraviolet A radiation).

References


Types of coumarins
Aglycones
O-Methylated
Glycosides
Derivatives
Furanocoumarins
Aglycones
O-Methylated
Furanocoumarin glycosides
Meroterpene furanocoumarin ether
Oligomers
Synthetic
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