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CHEBI:192816 - (2S)-5-hydroxy-4',7-dimethoxyflavanone

ChEBI IDCHEBI:192816
ChEBI Name(2S)-5-hydroxy-4',7-dimethoxyflavanone
Stars
ASCII Name(2S)-5-hydroxy-4',7-dimethoxyflavanone
DefinitionA 5-hydroxy-4',7-dimethoxyflavanone that has (S)-configuration.
Secondary ChEBI IDCHEBI:192778
Last Modified8 February 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)cc(OC)cc3O2)cc1
InChIInChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3/t15-/m0/s1
InChIKeyCKEXCBVNKRHAMX-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Sarcandra hainanensis (ncbitaxon:146545) whole plant (BTO:0001461) DOI (10.1248/cpb.58.1395)
Cryptocarya obovata (ncbitaxon:29743) - DOI (10.1016/j.bmcl.2010.05.091)
Pogostemon cablin (ncbitaxon:28511) aerial part (BTO:0001658) DOI (10.1002/hlca.201000151)
Vitex quinata (ncbitaxon:167923) leaf (BTO:0000713) DOI (10.1016/j.phytol.2011.03.007)
Renealmia alpinia (ncbitaxon:199658) aerial part (BTO:0001658) PubMed (25686780)
Roles Classification
Biological Roles:
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)
(2S)-5-hydroxy-4',7-dimethoxyflavanone (CHEBI:192816) has functional parent (S)-naringenin (CHEBI:17846)
(2S)-5-hydroxy-4',7-dimethoxyflavanone (CHEBI:192816) is a (2S)-flavan-4-one (CHEBI:140377)
(2S)-5-hydroxy-4',7-dimethoxyflavanone (CHEBI:192816) is a 5-hydroxy-4',7-dimethoxyflavanone (CHEBI:157737)
IUPAC Name 
(2S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
(2S)-naringenin 4',7-dimethyl etherChEBI
(2S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-oneIUPAC
(2S)-4',7-dimethoxy-5-hydroxyflavanoneChEBI
(S)-4',7-di-O-methylnaringeninChEBI
(2S)-4',7-di-O-methylnaringeninChEBI
(S)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chroman-4-oneChEBI
UniProt Name  Source
(2S)-naringenin 4',7-dimethyl etherUniProt
Registry NumbersSources
CAS:29424-96-2PubChem Compound
Citations