methoxsalen   Click here for help

GtoPdb Ligand ID: 12457

Synonyms: 8-Methoxypsoralen | 8-MOP | xanthotoxin | zanthotoxin
Approved drug PDB Ligand
methoxsalen is an approved drug (FDA (1954))
Comment: Methoxsalen (xanthotoxin) is a naturally occurring furocoumarin compound that is present in several species of plants, including Psoralea corylifolia (babchi) which is a traditional medicinal plant and Ammi majus (bishop's flower).
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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
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Canonical SMILES COC1=C2C(=CC3=C1OC(=O)C=C3)C=CO2
Isomeric SMILES COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
No information available.
Summary of Clinical Use Click here for help
Methoxsalen is used as a photosensitising agent to potentiate UV-A treatment for vitiligo and severe psoriasis.
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