coumarin (CHEBI:28794)

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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

Average Mass

146.145

Monoisotopic Mass

146.03678

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=C1OC2=CC=CC=C2C=C1

Metabolite of Species	Details
Eupatorium cannabinum subsp. asiaticum (NCBI:txid102770)	Found in aerial part (BTO:0001658). MeOH extract of shade-dried, pulverized aerial parts See: PubMed
Homo sapiens (NCBI:txid9606)	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

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) 6,8-difluoro-4-methylumbelliferyl phosphate (CHEBI:133848) has functional parent coumarin (CHEBI:28794) 6,8-difluoro-4-methylumbelliferyl phosphate (2−) (CHEBI:133849) 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) 7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one (CHEBI:141536) is a 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

Last Modified

28 May 2021