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CHEBI:66096 - isonymphaeol B

ChEBI IDCHEBI:66096
ChEBI Nameisonymphaeol B
Stars
DefinitionA tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4 and a geranyl group at position 5'. Isolated from Propolis from Okinawa, Japan, it exhibits radical scavenging activity.
Last Modified8 November 2024
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILES[H][C@@]1(c2cc(O)c(O)c(C/C=C(\C)CCC=C(C)C)c2)CC(=O)c2c(O)cc(O)cc2O1
InChIInChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-17(10-21(29)25(16)30)22-13-20(28)24-19(27)11-18(26)12-23(24)31-22/h5,7,9-12,22,26-27,29-30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
InChIKeyAMSGNHVRVKYLPO-CEMXSPGASA-N
Species of MetaboliteComponentSourceComments
Apis mellifera (ncbitaxon:7460) - PubMed (14745198) Propolis collected in okinawa in japan
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:
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)
isonymphaeol B (CHEBI:66096) has functional parent (2S)-flavanone (CHEBI:15606)
isonymphaeol B (CHEBI:66096) has role metabolite (CHEBI:25212)
isonymphaeol B (CHEBI:66096) has role radical scavenger (CHEBI:48578)
isonymphaeol B (CHEBI:66096) is a 4'-hydroxyflavanones (CHEBI:140331)
isonymphaeol B (CHEBI:66096) is a tetrahydroxyflavanone (CHEBI:38742)
IUPAC Name 
(2S)-2-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,5-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
Synonym  Source
5,7,3',4'-tetrahydroxy-5'-C-geranylflavanoneChEBI
Registry NumbersSources
Reaxys:10397346Reaxys
Citations