bergapten   Click here for help

GtoPdb Ligand ID: 12431

Synonyms: 5-Methoxypsoralen | 5-MOP | bergaptene | Heraclin | O-Methylbergaptol
Compound class: Natural product
Comment: Bergapten is a natural product found in Ficus auriculata and Ficus virens. It has been investigated for clinical applications.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 44.76
Molecular weight 216.19
XLogP 1.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
Isomeric SMILES COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
InChI InChI=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 Key BGEBZHIAGXMEMV-UHFFFAOYSA-N
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Summary of Clinical Use Click here for help
Bergapten has been evaluated for efficacy as photochemotherapy for patients with severe generalized atopic dermatitis and pustular palmoplantar psoriasis.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT00533195 Comparison of UVA1 Phototherapy Versus Photochemotherapy for Patients With Severe Generalized Atopic Dermatitis Phase 3 Interventional Medical University of Vienna