CHEBI:2082 - 5-hydroxyxanthotoxin

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ChEBI Name 5-hydroxyxanthotoxin
ChEBI ID CHEBI:2082
Definition A member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H8O5
Net Charge 0
Average Mass 232.18890
Monoisotopic Mass 232.03717
InChI InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
InChIKey XPFCGZWOHNGDSP-UHFFFAOYSA-N
SMILES COc1c2occc2c(O)c2ccc(=O)oc12
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-hydroxyxanthotoxin (CHEBI:2082) has functional parent methoxsalen (CHEBI:18358)
5-hydroxyxanthotoxin (CHEBI:2082) has role metabolite (CHEBI:25212)
5-hydroxyxanthotoxin (CHEBI:2082) is a psoralens (CHEBI:26369)
5-hydroxyxanthotoxin (CHEBI:2082) is conjugate acid of 5-hydroxyxanthotoxin(1−) (CHEBI:78326)
Incoming 5-hydroxyxanthotoxin(1−) (CHEBI:78326) is conjugate base of 5-hydroxyxanthotoxin (CHEBI:2082)
IUPAC Name
4-hydroxy-9-methoxy-7H-furo[3,2-g]chromen-7-one
Synonyms Sources
4-hydroxy-9-methoxy-7H-furo[3,2-g]benzopyran-7-one ChEBI
5-hydroxy-8-methoxypsoralen ChEBI
5-Hydroxyxanthotoxin KEGG COMPOUND
Manual Xref Database
C02951 KEGG COMPOUND
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Registry Numbers Types Sources
226874 Beilstein Registry Number Beilstein
226874 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17703773 PubMed citation Europe PMC
18589748 PubMed citation Europe PMC
22930555 PubMed citation Europe PMC
23234138 PubMed citation Europe PMC
2886306 PubMed citation Europe PMC
Last Modified
22 October 2014