EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65499 - bipinnatone B

Default Structure
ChEBI IDCHEBI:65499
ChEBI Namebipinnatone B
Stars
DefinitionA member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a geranyl group at C-3. It is isolated from the aerial parts of Boronia bipinnata and exhibits antimalarial activity.
Last Modified26 November 2012
DownloadsMolfile
FormulaC25H30O5
Net Charge0
Average Mass410.510
Monoisotopic Mass410.20932
SMILESCC(C)=CCC/C(C)=C/Cc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O
InChIInChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-10-19-13-18(8-11-21(19)27)9-12-22(28)25-23(29)14-20(26)15-24(25)30/h5,7-8,11,13-15,26-27,29-30H,4,6,9-10,12H2,1-3H3/b17-7+
InChIKeyNJIYMLLTXNGJHV-REZTVBANSA-N
Species of MetaboliteComponentSourceComments
Boronia bipinnata (IPNI:771577-1) aerial part (BTO:0001658) PubMed (18662038)
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.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
bipinnatone B (CHEBI:65499) has role antimalarial (CHEBI:38068)
bipinnatone B (CHEBI:65499) has role metabolite (CHEBI:25212)
bipinnatone B (CHEBI:65499) is a dihydrochalcones (CHEBI:71230)
bipinnatone B (CHEBI:65499) is a polyphenol (CHEBI:26195)
IUPAC Name 
3-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}-1-(2,4,6-trihydroxyphenyl)propan-1-one
Registry NumbersSources
Reaxys:18863622Reaxys
Citations