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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3908 - coumestrol
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ChEBI Ontology
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ChEBI Name
coumestrol
ChEBI ID
CHEBI:3908
Definition
A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H8O5
Net Charge
0
Average Mass
268.22100
Monoisotopic Mass
268.03717
InChI
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey
ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES
Oc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
coumestrol (
CHEBI:3908
)
has functional parent
coumestan (
CHEBI:72578
)
coumestrol (
CHEBI:3908
)
has role
anti-inflammatory agent (
CHEBI:67079
)
coumestrol (
CHEBI:3908
)
has role
antioxidant (
CHEBI:22586
)
coumestrol (
CHEBI:3908
)
has role
plant metabolite (
CHEBI:76924
)
coumestrol (
CHEBI:3908
)
is a
δ-lactone (
CHEBI:18946
)
coumestrol (
CHEBI:3908
)
is a
coumestans (
CHEBI:72577
)
coumestrol (
CHEBI:3908
)
is a
polyphenol (
CHEBI:26195
)
Incoming
coumestrol diacetate (
CHEBI:79614
)
has functional parent
coumestrol (
CHEBI:3908
)
isosojagol (
CHEBI:142265
)
has functional parent
coumestrol (
CHEBI:3908
)
IUPAC Name
3,9-dihydroxy-6
H
-[1]benzofuro[3,2-
c
]chromen-6-one
Synonyms
Sources
3,9-dihydroxycoumestan
ChEBI
Chrysanthin
HMDB
Coumestrol
KEGG COMPOUND
Manual Xrefs
Databases
C00002514
KNApSAcK
C10205
KEGG COMPOUND
Coumestrol
Wikipedia
CPD-11779
MetaCyc
HMDB0002326
HMDB
LMPK12090018
LIPID MAPS
LSM-4202
LINCS
View more database links
Registry Numbers
Types
Sources
266702
Reaxys Registry Number
Reaxys
479-13-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22644850
PubMed citation
Europe PMC
22694330
PubMed citation
Europe PMC
22824334
PubMed citation
Europe PMC
22926873
PubMed citation
Europe PMC
23348407
PubMed citation
Europe PMC
Last Modified
26 September 2018