CHEBI:66096 - isonymphaeol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isonymphaeol B
ChEBI ID CHEBI:66096
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H28O6
Net Charge 0
Average Mass 424.48620
Monoisotopic Mass 424.18859
InChI InChI=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
InChIKey AMSGNHVRVKYLPO-CEMXSPGASA-N
SMILES [H][C@]1(CC(=O)c2c(O)cc(O)cc2O1)c1cc(O)c(O)c(C\C=C(/C)CCC=C(C)C)c1
Metabolite of Species Details
Apis mellifera (NCBI:txid7460) Propolis collected in okinawa in japan See: PubMed
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-geranylflavanone ChEBI
Registry Number Type Source
10397346 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14745198 PubMed citation Europe PMC
16730759 PubMed citation Europe PMC
20184018 PubMed citation Europe PMC
Last Modified
08 November 2024