Chemical Component Summary

NameMETHOXSALEN
Synonyms9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
Identifiers9-methoxypyrano[5,6-f][1]benzoxol-7-one
FormulaC12 H8 O4
Molecular Weight216.19
TypeNON-POLYMER
Isomeric SMILESCOc1c2c(cco2)cc3c1OC(=O)C=C3
InChIInChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKeyQXKHYNVANLEOEG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count26
Aromatic Bond Count15

Drug Info: DrugBank

DrugBank IDDB00553 
NameMethoxsalen
Groups approved
DescriptionA naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA adducts in the presence of ultraviolet A irradiation.
Synonyms
  • Methoxsalen
  • Ammoidin
  • 8-Methoxyfuranocoumarin
  • 8-methoxy-4',5':6,7-furocoumarin
  • Xanthotoxine
Brand Names
  • Oxsoralen-ultra Cap 10mg
  • 8-mop
  • Oxsoralen Cap 10mg
  • Oxsoralen
  • Ultramop Cap 10mg
IndicationFor the treatment of psoriasis and vitiligo
Categories
  • Antipsoriatics
  • Antipsoriatics for Systemic Use
  • Antipsoriatics for Topical Use
  • Benzopyrans
  • Coloring Agents
ATC-Code
  • D05BA02
  • D05AD02
CAS number298-81-7

Drug Targets

NameTarget SequencePharmacological ActionActions
DNA-unknownintercalation
Cytochrome P450 1A1MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...unknowninhibitor
Cytochrome P450 2A13MLASGLLLVTLLACLTVMVLMSVWRQRKSRGKLPPGPTPLPFIGNYLQLN...unknowninhibitor
Cytochrome P450 2A6MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN...unknowninhibitor
Cytochrome P450 1A2MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL416
PubChem 4114
ChEMBL CHEMBL416
ChEBI CHEBI:18358
CCDC/CSD XANTOX01, WORNID, XANTOX03, WORNEZ