CHEBI:28794 - coumarin

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ChEBI Name coumarin
ChEBI ID CHEBI:28794
Definition A chromenone having the keto group located at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3906, CHEBI:41552, CHEBI:101256, CHEBI:23402
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Formula C9H6O2
Net Charge 0
Average Mass 146.14270
InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
SMILES O=c1ccc2ccccc2o1
Metabolite of Species Details
Eupatorium cannabinum subsp. asiaticum (NCBI:102770) Found in aerial part (BTO:0001658). MeOH extract of shade-dried, pulverized aerial parts See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): fluorescent dye

View more via ChEBI Ontology
ChEBI Ontology
Outgoing coumarin (CHEBI:28794) has role fluorescent dye (CHEBI:51121)
coumarin (CHEBI:28794) has role human metabolite (CHEBI:77746)
coumarin (CHEBI:28794) has role plant metabolite (CHEBI:76924)
coumarin (CHEBI:28794) is a coumarins (CHEBI:23403)
Incoming 3,4-dihydrocoumarin (CHEBI:16151) has functional parent coumarin (CHEBI:28794)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) has functional parent coumarin (CHEBI:28794)
4-ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin (CHEBI:34403) has functional parent coumarin (CHEBI:28794)
5,6,7-trimethoxycoumarin (CHEBI:28126) has functional parent coumarin (CHEBI:28794)
7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin (CHEBI:79572) has functional parent coumarin (CHEBI:28794)
7-hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one (CHEBI:79571) has functional parent coumarin (CHEBI:28794)
7-methoxycoumarin-4-acetic acid (CHEBI:51666) has functional parent coumarin (CHEBI:28794)
daphnoretin (CHEBI:4324) has functional parent coumarin (CHEBI:28794)
licoarylcoumarin (CHEBI:69100) has functional parent coumarin (CHEBI:28794)
IUPAC Name
2H-chromen-2-one
Synonyms Sources
1,2-Benzopyrone KEGG COMPOUND
2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone KEGG COMPOUND
2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone KEGG COMPOUND
2H-1-Benzopyran-2-one KEGG COMPOUND
2H-benzo[b]pyran-2-one NIST Chemistry WebBook
5,6-Benzo-2-pyrone KEGG COMPOUND
Benzo-a-pyrone KEGG COMPOUND
Benzo-alpha-pyrone KEGG COMPOUND
cis-o-Coumarinic acid lactone KEGG COMPOUND
Coumarine KEGG COMPOUND
Coumarine KEGG COMPOUND
Coumarinic anhydride KEGG COMPOUND
Cumarin KEGG COMPOUND
o-hydroxycinnamic acid δ-lactone NIST Chemistry WebBook
o-Hydroxycinnamic acid lactone KEGG COMPOUND
Rattex KEGG COMPOUND
Tonka bean camphor KEGG COMPOUND
Database Links Databases
C00002460 KNApSAcK
C05851 KEGG COMPOUND
Coumarin Wikipedia
COUMARIN MetaCyc
D07751 KEGG DRUG
DB04665 DrugBank
HMDB01218 HMDB
LSM-2519 LINCS
View more database links
Registry Numbers Types Sources
165222 Gmelin Registry Number Gmelin
383644 Beilstein Registry Number Beilstein
383644 Reaxys Registry Number Reaxys
91-64-5 CAS Registry Number NIST Chemistry WebBook
91-64-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17988284 PubMed citation CiteXplore
19025869 PubMed citation CiteXplore
21046436 PubMed citation CiteXplore
21462332 PubMed citation CiteXplore
21798343 PubMed citation CiteXplore
8735869 PubMed citation CiteXplore
Last Modified
25 February 2016