loading...| Preferred Name | coumarin | |
| Synonyms |
o-hydroxycinnamic acid delta-lactone cis-o-Coumarinic acid lactone 1,2-Benzopyrone 5,6-Benzo-2-pyrone Benzo-alpha-pyrone Coumarinic anhydride 2H-benzo[b]pyran-2-one Tonka bean camphor 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone Benzo-a-pyrone o-Hydroxycinnamic acid lactone 2H-1-Benzopyran-2-one Coumarine Cumarin Rattex 2H-chromen-2-one |
|
| Definitions |
A chromenone having the keto group located at the 2-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28794 |
|
| charge |
0 |
|
| database_cross_reference |
MeSH:C030123 CiteXplore:21798343 Drug_Central:738 Reaxys:383644 LINCS:LSM-2519 CiteXplore:17988284 PMID:21462332 ChemIDplus:91-64-5 Gmelin:165222 KEGG:C05851 Beilstein:383644 CiteXplore:21462332 PMID:20206186 PDBeChem:COU HMDB:HMDB01218 SNOMEDCT:90944001 KEGG DRUG:D07751 CAS:91-64-5 PMID:8735869 MetaCyc:COUMARIN PMID:21046436 PMID:21798343 CiteXplore:19025869 KEGG COMPOUND:91-64-5 HMDB:HMDB0001218 PMID:17988284 PMID:19025869 PMID:16822524 DrugBank:DB04665 Wikipedia:Coumarin CiteXplore:21046436 KEGG:D07751 PMID:28166217 PMID:16086027 NIST Chemistry WebBook:91-64-5 CiteXplore:8735869 KNApSAcK:C00002460 KEGG COMPOUND:C05851 NCIt:C397 |
|
| definition |
A chromenone having the keto group located at the 2-position. |
|
| formula |
C9H6O2 |
|
| has_alternative_id |
CHEBI:41552 CHEBI:101256 CHEBI:23402 CHEBI:3906 |
|
| has_exact_synonym |
2H-chromen-2-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
o-hydroxycinnamic acid delta-lactone cis-o-Coumarinic acid lactone 1,2-Benzopyrone 5,6-Benzo-2-pyrone Benzo-alpha-pyrone Coumarinic anhydride 2H-benzo[b]pyran-2-one Tonka bean camphor 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone Benzo-a-pyrone o-Hydroxycinnamic acid lactone 2H-1-Benzopyran-2-one Coumarine Cumarin Rattex |
|
| id |
CHEBI:28794 |
|
| in_subset | ||
| inchi |
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
|
| inchikey |
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
|
| label |
coumarin |
|
| mass |
146.14270 146.145 |
|
| monoisotopicmass |
146.03678 |
|
| notation |
CHEBI:28794 |
|
| preferred label |
coumarin |
|
| prefLabel |
coumarin |
|
| smiles |
O=C1OC2=CC=CC=C2C=C1 |
|
| subClassOf |