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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | hesperetin | |
| Synonyms |
(2S)-hesperetin (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (-)-(S)-hesperetin 3',5,7-Trihydroxy-4'-methoxyflavanone (-)-hesperetin (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one Hesperetin |
|
| Definitions |
A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28230 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:22899565 Drug_Central:1362 HMDB:HMDB0005782 LIPID_MAPS_instance:LMPK12140003 KNApSAcK:C00000968 PMID:16964766 LINCS:LSM-20933 Wikipedia:Hesperetin Reaxys:92705 PMID:22794525 PMID:22903244 DrugBank:DB01094 KEGG:C01709 PMID:22409373 MetaCyc:CPD-7072 CAS:520-33-2
|
|
| definition |
A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
|
|
| formula |
C16H14O6
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:5681 CHEBI:24529
|
|
| has_exact_synonym |
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one Hesperetin
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(2S)-hesperetin (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (-)-(S)-hesperetin 3',5,7-Trihydroxy-4'-methoxyflavanone (-)-hesperetin
|
|
| id |
CHEBI:28230
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
|
|
| inchikey |
AIONOLUJZLIMTK-AWEZNQCLSA-N
|
|
| is conjugate acid of | ||
| label |
hesperetin
|
|
| mass |
302.27880
|
|
| monoisotopicmass |
302.07904
|
|
| notation |
CHEBI:28230
|
|
| prefLabel |
hesperetin
|
|
| smiles |
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_140332 http://purl.obolibrary.org/obo/CHEBI_48024 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_140332 http://purl.obolibrary.org/obo/CHEBI_48024 |
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