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CHEBI:70019 - (S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one

ChEBI IDCHEBI:70019
ChEBI Name(S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
Stars
ASCII Name(S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
DefinitionA tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 5' and prenyl groups at positions 6 and 8 respectively. It has been isolated from natural product found in Macaranga conifera.
Last Modified22 June 2015
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1cc(O)cc(O)c1)O2
InChIInChI=1S/C25H28O6/c1-13(2)5-7-18-23(29)19(8-6-14(3)4)25-22(24(18)30)20(28)12-21(31-25)15-9-16(26)11-17(27)10-15/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1
InChIKeyOKBQXURKDRNMAB-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Macaranga conifera (ncbitaxon:109817) - PubMed (21275386) Methanol-Dichloromethane (1:1) extract of dried, ground plant material
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)
(S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one (CHEBI:70019) has functional parent (2S)-flavanone (CHEBI:15606)
(S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one (CHEBI:70019) has role plant metabolite (CHEBI:76924)
(S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one (CHEBI:70019) is a tetrahydroxyflavanone (CHEBI:38742)
IUPAC Name 
(2S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
Synonyms  Source
5,7,3',5'-tetrahydroxy-6,8-diprenylflavanoneChEBI
Monotesone BLIPID MAPS
Manual XrefsDatabases
LMPK12140186LIPID MAPS
Registry NumbersSources
Reaxys:21312878Reaxys
Citations