The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

trioxsalen

Synonyms

4,7,9-trimethyl-2H-furo[3,2-g]chromen-2-one

6-hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid, delta-lactone

Trioxsalen

trioxisaleno

trioxysalene

trioxysalenum

Trioxysalen

2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one

C14H12O3

Trimethylpsoralen

4,8,5'-Trimethylpsoralen

trioxysalen

4,5',8-Trimethylpsoralen

2',4,8-Trimethylpsoralen

ID

http://purl.obolibrary.org/obo/CHEBI_28329

altId

CHEBI:20282

CHEBI:1758

ATCCode

D05AD01

CASRN

3902-71-4

DBname

trioxsalen

DBSynonym

trimethylpsoralen

trisoralen

trioxysalen

Definition

7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2873

has role

http://purl.obolibrary.org/obo/CHEBI_50177

http://purl.obolibrary.org/obo/CHEBI_47868

InChI

InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3

InChIKey

InChIKey=FMHHVULEAZTJMA-UHFFFAOYSA-N

label

trioxsalen

prefixIRI

obo2:CHEBI_28329

prefLabel

trioxsalen

related with

http://purl.obolibrary.org/obo/dinto_2873

SMILES

Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1

CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1

Synonym

4,7,9-trimethyl-2H-furo[3,2-g]chromen-2-one

6-hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid, delta-lactone

Trioxsalen

trioxisaleno

trioxysalene

trioxysalenum

Trioxysalen

2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one

C14H12O3

Trimethylpsoralen

4,8,5'-Trimethylpsoralen

trioxysalen

4,5',8-Trimethylpsoralen

2',4,8-Trimethylpsoralen

xref

Wikipedia:http://en.wikipedia.org/wiki/Trioxsalen

PharmGKB:PA164747186

ChEMBL:502531

KEGG DRUG:D01034

CASRN:3902-71-4

Patent:US3201421

Drugs.com:http://www.drugs.com/cons/trioxsalen.html

Wikipedia:Trioxsalen

Beilstein:221723

KEGG COMPOUND:C09314

NIST Chemistry WebBook:3902-71-4

DrugBank:DB04571

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66640 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66640 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66640 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66640 NCIT LOOM
http://purl.obolibrary.org/obo/CHEBI_28329 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_28329 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_28329 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_28329 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_28329 NBO LOOM
http://purl.obolibrary.org/obo/CHEBI_28329 NBO SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.438.150.446.794.875 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147178 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/D014307 MESH LOOM
http://purl.obolibrary.org/obo/DRON_00011739 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00011739 DRON LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.494.770.875 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D014307 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/10844 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.830.219.446.794.875 RH-MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4018884 VANDF LOOM
http://purl.bioontology.org/ontology/SNMI/C-92830 SNMI LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/35464001 SNOMEDCT LOOM