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Xanthotoxol

  • Formula: C11H6O4

  • Molecular weight: 202.16

  • Smiles: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O

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Xanthotoxol

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Xanthotoxol

  • First synonym: Xanthotoxol

  • Synonyms: Xanthotoxol,8-Hydroxypsoralen,2009-24-7,8-Hydroxypsoralene,Psoralen, 8-hydroxy-,7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-,8-Hydroxyfuranocoumarin,9-Hydroxy-7H-furo[3,2-g]chromen-7-one,9-hydroxyfuro[3,2-g]chromen-7-one,Xanthotoxol (6CI),XANTHOTOL,9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one,NSC401269,9-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one,7H-Furo[3,2-g][1]benzopyran-7-one,9-hydroxy-,7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-,6,7-Dihydroxy-5-benzofuranacrylic acid gamma-lactone,CHEBI:15709,NSC 401269,EINECS 217-923-1,BRN 0189491,8-hydroxy-psoralen,8-Hydroxyanthotoxol,8-hydroxyfurocoumarin,8-hydroxyfurocoumarins,9-hydroxy-furo[3,2-g]chromen-7-one,Xanthotol; Xanthotoxol,8-hydroxyfuranocoumarins,an 8-hydroxyfurocoumarin,7H-Furo[3, 9-hydroxy-,CHEMBL1192,5-19-06-00014 (Beilstein Handbook Reference),MLS002472938,SCHEMBL499269,5-Benzofuranacrylic acid, 6,7-dihydroxy-, gamma-lactone,DTXSID50173910,HMS2267B05,HMS3886P18,ZINC895404,BDBM50361378,MFCD00017408,s9174,9-hydroxyfurano[3,2-g]chromen-2-one,AKOS000276803,CCG-266594,CS-8023,MCULE-4145719408,NSC-401269,NCGC00247457-01,AC-12979,AC-34294,BS-21947,HY-30152,SMR001397046,9-hydroxy-2H-furo[3,2-g]chromen-2-one,AB0021832,DB-045082,FT-0633974,N2298,ST50308995,W1288,9-Hydroxy-7H-furo[3,2-g]chromen-7-one #,A14771,C00841,H10450,A879846,Q4021722,W-201757,9-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI,5-Benzofuranacrylic acid, 6,7-dihydroxy-, .delta.-lactone,5-Benzofuranacrylic acid, 6,7-dihydroxy-, gamma-lactone (7CI),2-Propenoic acid,7-dihydroxy-5-benzofuranyl)-, .delta.-lactone,6-(3,4-Dichlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole,2-Propenoic acid, 3-(6,7-dihydroxy-5-benzofuranyl)-, .delta.-lactone

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Structure

  • Smiles: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O

  • Isomeric smiles: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O

  • Inchi: InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H

  • Inchikey: JWVYQQGERKEAHW-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C11H6O4

  • Molecular weight: 202.16

  • Monoisotopic mass: 202.02660867

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