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> Main
CHEBI:28126 - 5,6,7-trimethoxycoumarin
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ChEBI Ontology
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ChEBI Name
5,6,7-trimethoxycoumarin
ChEBI ID
CHEBI:28126
Definition
A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1993, CHEBI:20508
Supplier Information
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Formula
C12H12O5
Net Charge
0
Average Mass
236.22070
Monoisotopic Mass
236.06847
InChI
InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3
InChIKey
FOBNRKTURPWTQX-UHFFFAOYSA-N
SMILES
COc1cc2oc(=O)ccc2c(OC)c1OC
Roles Classification
Biological Role
(s):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
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
5,6,7-trimethoxycoumarin (
CHEBI:28126
)
has functional parent
coumarin (
CHEBI:28794
)
5,6,7-trimethoxycoumarin (
CHEBI:28126
)
has role
antibacterial agent (
CHEBI:33282
)
5,6,7-trimethoxycoumarin (
CHEBI:28126
)
has role
metabolite (
CHEBI:25212
)
5,6,7-trimethoxycoumarin (
CHEBI:28126
)
is a
aromatic ether (
CHEBI:35618
)
5,6,7-trimethoxycoumarin (
CHEBI:28126
)
is a
coumarins (
CHEBI:23403
)
IUPAC Name
5,6,7-trimethoxy-2
H
-chromen-2-one
Synonyms
Sources
5,6,7-trimethoxy-2
H
-1-benzopyran-2-one
ChEBI
5,6,7-Trimethoxycoumarin
KEGG COMPOUND
fraxinol methyl ether
ChEBI
Manual Xrefs
Databases
C00002501
KNApSAcK
C09313
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
240375
Reaxys Registry Number
Reaxys
55085-47-7
CAS Registry Number
KEGG COMPOUND
55085-47-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11295313
PubMed citation
Europe PMC
14661854
PubMed citation
Europe PMC
17613825
PubMed citation
Europe PMC
18058380
PubMed citation
Europe PMC
9434601
PubMed citation
Europe PMC
Last Modified
28 July 2014