CHEBI:70021 - (S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one

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ChEBI Name (S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
ChEBI ID CHEBI:70021
ChEBI ASCII Name (S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
Definition A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 4' and a prenyl group at position 8. It has been isolated from Macaranga bicolor.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22O5
Net Charge 0
Average Mass 354.39640
Monoisotopic Mass 354.14672
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1
InChIKey CTFJUDTWKJHYNX-IBGZPJMESA-N
SMILES COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1
Metabolite of Species Details
Macaranga bicolor (NCBI:txid396452) Methanol-Dichloromethane (1:1) extract of dried, ground plant material See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one (CHEBI:70021) has functional parent (2S)-flavanone (CHEBI:15606)
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one (CHEBI:70021) has role plant metabolite (CHEBI:76924)
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one (CHEBI:70021) is a 4'-methoxyflavanones (CHEBI:140332)
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one (CHEBI:70021) is a dihydroxyflavanone (CHEBI:38749)
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one (CHEBI:70021) is a monomethoxyflavanone (CHEBI:38738)
IUPAC Name
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
Synonyms Sources
(2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone ChEBI
4'-O-methyl-8-prenylnaringenin ChEBI
Registry Number Type Source
9353342 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21275386 PubMed citation Europe PMC
Last Modified
06 April 2018