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CHEBI:67365 - pisonivanol

Default Structure
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)
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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