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> Main
CHEBI:2082 - 5-hydroxyxanthotoxin
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ChEBI Ontology
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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.
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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-7
H
-furo[3,2-
g
]chromen-7-one
Synonyms
Sources
4-hydroxy-9-methoxy-7
H
-furo[3,2-
g
]benzopyran-7-one
ChEBI
5-hydroxy-8-methoxypsoralen
ChEBI
5-Hydroxyxanthotoxin
KEGG COMPOUND
Manual Xref
Database
C02951
KEGG COMPOUND
View more database links
Registry Number
Type
Source
226874
Reaxys Registry Number
Reaxys
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