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CHEBI:85127 - (2S)-7,4'-dihydroxy-8-geranylflavanone

ChEBI IDCHEBI:85127
ChEBI Name(2S)-7,4'-dihydroxy-8-geranylflavanone
Stars
ASCII Name(2S)-7,4'-dihydroxy-8-geranylflavanone
DefinitionA dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at position 7 and 4' and a geranyl group at position 8.
Last Modified5 April 2018
Submitternamrata
DownloadsMolfile
FormulaC25H28O4
Net Charge0
Average Mass392.495
Monoisotopic Mass392.19876
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O
InChIInChI=1S/C25H28O4/c1-16(2)5-4-6-17(3)7-12-20-22(27)14-13-21-23(28)15-24(29-25(20)21)18-8-10-19(26)11-9-18/h5,7-11,13-14,24,26-27H,4,6,12,15H2,1-3H3/b17-7+/t24-/m0/s1
InChIKeyIJCCBLTVMMYSFZ-WAKDBBHESA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
(2S)-7,4'-dihydroxy-8-geranylflavanone (CHEBI:85127) has functional parent (2S)-flavanone (CHEBI:15606)
(2S)-7,4'-dihydroxy-8-geranylflavanone (CHEBI:85127) has role plant metabolite (CHEBI:76924)
(2S)-7,4'-dihydroxy-8-geranylflavanone (CHEBI:85127) is a 4'-hydroxyflavanones (CHEBI:140331)
(2S)-7,4'-dihydroxy-8-geranylflavanone (CHEBI:85127) is a dihydroxyflavanone (CHEBI:38749)
IUPAC Name 
(2S)-8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonym  Source
Prostratol FKNApSAcK
Manual XrefsDatabases
C00014185KNApSAcK
Registry NumbersSources
Reaxys:7147873Reaxys