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CHEBI:5381 - glepidotin B

ChEBI IDCHEBI:5381
ChEBI Nameglepidotin B
Stars
DefinitionA trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5 and 7 and a prenyl group at position 8 respectively.
Last Modified6 February 2018
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@@H](O)C2=O
InChIInChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3/t18-,19+/m0/s1
InChIKeyATJOIGKHVRPLSM-RBUKOAKNSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza lepidota (ncbitaxon:47080) - PubMed (11524125)
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)
glepidotin B (CHEBI:5381) has functional parent (2S)-flavanone (CHEBI:15606)
glepidotin B (CHEBI:5381) has role plant metabolite (CHEBI:76924)
glepidotin B (CHEBI:5381) is a dihydroflavonols (CHEBI:48039)
glepidotin B (CHEBI:5381) is a secondary α-hydroxy ketone (CHEBI:2468)
glepidotin B (CHEBI:5381) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Manual XrefsDatabases
C09753KEGG COMPOUND
C00008607KNApSAcK
Registry NumbersSources
Reaxys:8938106Reaxys
CAS:87440-56-0KEGG COMPOUND
Citations