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CHEBI:67365 - pisonivanol

ChEBI IDCHEBI:67365
ChEBI Namepisonivanol
Stars
DefinitionA dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3 and 7 and methoxy groups at positions 5 and 6. It has been isolated from Pisonia aculeata.
Last Modified6 February 2018
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCOc1c(O)cc2c(c1OC)C(=O)[C@H](O)[C@@H](c1ccccc1)O2
InChIInChI=1S/C17H16O6/c1-21-16-10(18)8-11-12(17(16)22-2)13(19)14(20)15(23-11)9-6-4-3-5-7-9/h3-8,14-15,18,20H,1-2H3/t14-,15+/m0/s1
InChIKeyHERMXACAVKAURU-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
pisonivanol (CHEBI:67365) has functional parent (2S)-flavanone (CHEBI:15606)
pisonivanol (CHEBI:67365) has role metabolite (CHEBI:25212)
pisonivanol (CHEBI:67365) has role plant metabolite (CHEBI:76924)
pisonivanol (CHEBI:67365) is a dihydroflavonols (CHEBI:48039)
pisonivanol (CHEBI:67365) is a dihydroxyflavanone (CHEBI:38749)
pisonivanol (CHEBI:67365) is a dimethoxyflavanone (CHEBI:38743)
pisonivanol (CHEBI:67365) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(2R,3R)-3,7-dihydroxy-5,6-dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
Synonym  Source
(2R,3R)-3,7-dihydroxy-5,6-dimethoxyflavanoneChEBI
Registry NumbersSources
Reaxys:21559748Reaxys
Citations