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CHEBI:27552 - 4'-methoxy-5,7-dihydroxyflavanone

ChEBI IDCHEBI:27552
ChEBI Name4'-methoxy-5,7-dihydroxyflavanone
Stars
DefinitionA dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer).
Secondary ChEBI IDsCHEBI:1733, CHEBI:20258
Last Modified22 August 2022
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1
InChIInChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKeyHMUJXQRRKBLVOO-AWEZNQCLSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552) has functional parent (S)-naringenin (CHEBI:17846)
4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552) has role plant metabolite (CHEBI:76924)
4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552) is a (2S)-flavan-4-one (CHEBI:140377)
4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552) is a 4'-methoxyflavanones (CHEBI:140332)
4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552) is a dihydroxyflavanone (CHEBI:38749)
4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552) is a monomethoxyflavanone (CHEBI:38738)
Incoming Relation(s)
(2S)-poncirin (CHEBI:66773) has functional parent 4'-methoxy-5,7-dihydroxyflavanone (CHEBI:27552)
IUPAC Name 
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
IsosakuranetinKEGG COMPOUND
4'-MethylnaringeninKEGG COMPOUND
naringenin 4'-methyl etherChEBI
(S)-2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
UniProt Name  Source
(2S)-naringenin 4'-methyl etherUniProt
Manual XrefsDatabases
C05334KEGG COMPOUND
LMPK12140355LIPID MAPS
IsosakuranetinWikipedia
C00000973KNApSAcK
Registry NumbersSources
Reaxys:91627Reaxys
CAS:480-43-3KEGG COMPOUND
CAS:480-43-3ChemIDplus
Citations