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CHEBI:9199 - sophoranone

ChEBI IDCHEBI:9199
ChEBI Namesophoranone
Stars
DefinitionA dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 4' and prenyl groups at positions 3' and 5' respectively.
Last Modified5 April 2018
DownloadsMolfile
FormulaC30H36O4
Net Charge0
Average Mass460.614
Monoisotopic Mass460.26136
SMILESCC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc(CC=C(C)C)c1O
InChIInChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-16,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1
InChIKeyIORSRBKNYXPSDO-NDEPHWFRSA-N
Species of MetaboliteComponentSourceComments
Sophora tonkinensis (ncbitaxon:714503) - PubMed (24345512)
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)
sophoranone (CHEBI:9199) has functional parent (2S)-flavanone (CHEBI:15606)
sophoranone (CHEBI:9199) has role plant metabolite (CHEBI:76924)
sophoranone (CHEBI:9199) is a 4'-hydroxyflavanones (CHEBI:140331)
sophoranone (CHEBI:9199) is a dihydroxyflavanone (CHEBI:38749)
Synonym  Source
(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-oneChEBI
Manual XrefsDatabases
C08719KEGG COMPOUND
C00001005KNApSAcK
LMPK12140034LIPID MAPS
Registry NumbersSources
Reaxys:1332986Reaxys
CAS:23057-55-8KEGG COMPOUND
Citations