8MO

METHOXSALEN

Created:	2005-03-09
Last modified:	2021-03-13

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1 entries where 8MO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	15

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Chemical Component Summary
Name	METHOXSALEN
Synonyms	9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
Systematic Name (OpenEye OEToolkits)	9-methoxypyrano[5,6-f][1]benzoxol-7-one
Formula	C₁₂ H₈ O₄
Molecular Weight	216.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3Oc2c(OC)c1occc1cc2C=C3
SMILES	CACTVS	3.341	COc1c2occc2cc3C=CC(=O)Oc13
SMILES	OpenEye OEToolkits	1.5.0	COc1c2c(cco2)cc3c1OC(=O)C=C3
Canonical SMILES	CACTVS	3.341	COc1c2occc2cc3C=CC(=O)Oc13
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1c2c(cco2)cc3c1OC(=O)C=C3
InChI	InChI	1.03	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
InChIKey	InChI	1.03	QXKHYNVANLEOEG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00553
Name	Methoxsalen
Groups	approved
Description	A 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	8-methoxy-2',3',6,7-furocoumarin 8-MP 8-methoxy-4',5':6,7-furocoumarin 8-methoxy-[furano-3'.2':6.7-coumarin] O-methylxanthotoxol 8-methoxypsoralen 8-Methoxyfuranocoumarin 6-hydroxy-7-methoxy-5-benzofuranacrylic acid δ-lactone Xanthotoxin Ammoidin 8-MOP Méthoxsalène Metoxaleno 9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one Xanthotoxine Methoxsalen
Brand Names	Oxsoralen-ultra Cap 10mg Methoxsalen Uvadex Oxsoralen-Ultra Oxsoralen Lot 10mg/ml Oxsoralen Cap 10mg 8-mop Ultramop Cap 10mg Ultra Mop Lotion 1% Oxsoralen
Indication	For the treatment of psoriasis and vitiligo
Categories	Antipsoriatics Antipsoriatics for Systemic Use Antipsoriatics for Topical Use Benzopyrans Coloring Agents Compounds used in a research, industrial, or household setting Cross-Linking Reagents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Dermatologicals Drugs that are Mainly Renally Excreted Furocoumarins Heterocyclic Compounds, Fused-Ring Indicators and Reagents Laboratory Chemicals Photoabsorption Photoactivated Radical Generator Photosensitizing Activity Photosensitizing Agents Photosensitizing Agents for Phototherapy Psoralens for Systemic Use Psoralens for Topical Use Pyrans Radiation-Sensitizing Agents
ATC-Code	D05BA02 D05AD02
CAS number	298-81-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DNA	-	unknown	intercalation
Cytochrome P450 1A1	MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...	unknown	inhibitor
Cytochrome P450 2A13	MLASGLLLVTLLACLTVMVLMSVWRQRKSRGKLPPGPTPLPFIGNYLQLN...	unknown	inhibitor
Cytochrome P450 2A6	MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN...	unknown	inhibitor
Cytochrome P450 1A2	MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...	unknown	inhibitor

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