The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Id http://purl.obolibrary.org/obo/CHEBI_28230
http://purl.obolibrary.org/obo/CHEBI_28230
Preferred Name

hesperetin
Synonyms
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
(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
C16H14O6
(-)-hesperetin
Hesperetin
Type http://www.w3.org/2002/07/owl#Class

All Properties

label
hesperetin
prefLabel
hesperetin
is metabolised by
blocks
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.
DBBrand
hesperin
modulates
SMILES
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
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
CASRN
520-33-2
prefixIRI
obo2:CHEBI_28230
altId
CHEBI:5681
CHEBI:24529
Synonym
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
(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
C16H14O6
(-)-hesperetin
Hesperetin
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binds
has role
DBname
hesperetin
InChIKey
InChIKey=AIONOLUJZLIMTK-AWEZNQCLSA-N
subClassOf
inhibits
is substrate of
type
xref
KEGG COMPOUND:C01709
CiteXplore:16964766
ChemSpider:65234
CASRN:520-33-2
HMDB:HMDB05782
BindingDB:23418
CiteXplore:22409373
Wikipedia:Hesperetin
CiteXplore:22899565
Reaxys:92705
PubChem Substance:46507998
CiteXplore:22903244
LIPID MAPS:LMPK12140003
ChEBI:28230
ChEMBL:521346
DrugBank:DB01094
PubChem Compound:72281
Wikipedia:http://en.wikipedia.org/wiki/Hesperetin
MetaCyc:CPD-7072
Beilstein:92705
PharmGKB:PA164742902
CiteXplore:22794525
PDRhealth:http://www.pdrhealth.com/drug_info/nmdrugprofiles/nutsupdrugs/hes_0318.shtml
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DBSynonym
yso2
hesperitin
cyanidanon 4'-methyl ether 1626
has pharmacological target
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