CHEBI:28794 - coumarin

ChEBI IDCHEBI:28794
ChEBI Namecoumarin
Stars
DefinitionA chromenone having the keto group located at the 2-position.
Secondary ChEBI IDsCHEBI:3906, CHEBI:23402, CHEBI:41552, CHEBI:101256
Last Modified28 May 2021
DownloadsMolfile
FormulaC9H6O2
Net Charge0
Average Mass146.145
Monoisotopic Mass146.03678
SMILESO=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Eupatorium cannabinum subsp. asiaticum (ncbitaxon:102770) aerial part (BTO:0001658) PubMed (21391659) MeOH extract of shade-dried, pulverized aerial parts
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
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:
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) has functional parent coumarin (CHEBI:28794)
3,4-dihydrocoumarin (CHEBI:16151) 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  Source
CoumarineKEGG COMPOUND
CumarinKEGG COMPOUND
2H-1-Benzopyran-2-oneKEGG COMPOUND
1,2-BenzopyroneKEGG COMPOUND
2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactoneKEGG COMPOUND
5,6-Benzo-2-pyroneKEGG COMPOUND
Manual XrefsDatabases
C05851KEGG COMPOUND
COUPDBeChem
D07751KEGG DRUG
HMDB0001218HMDB
COUMARINMetaCyc
CoumarinWikipedia
DB04665DrugBank
C00002460KNApSAcK
LSM-2519LINCS
738DrugCentral
Registry NumbersSources
Gmelin:165222Gmelin
Reaxys:383644Reaxys
CAS:91-64-5KEGG COMPOUND
CAS:91-64-5NIST Chemistry WebBook
CAS:91-64-5ChemIDplus
Citations