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CHEBI:66189 - tanariflavanone B

ChEBI IDCHEBI:66189
ChEBI Nametanariflavanone B
Stars
DefinitionA trihydroxyflavanone that consists of (2S)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one skeleton substituted by hydroxy groups at positions 5, 7 and 8', a methyl group at position 2', a prenyl group at position 6 and a 4-methylpent-3-enyl group at position 2'. Isolated from Macaranga tanarius, it exhibits alleopathic effect.
Last Modified18 January 2019
DownloadsMolfile
FormulaC30H34O6
Net Charge0
Average Mass490.596
Monoisotopic Mass490.23554
SMILESCC(C)=CCCC1(C)C=Cc2c([C@@H]3CC(=O)c4c(cc(O)c(CC=C(C)C)c4O)O3)ccc(O)c2O1
InChIInChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30?/m0/s1
InChIKeyURMUEILYNQBSDZ-SUHMBNCMSA-N
Species of MetaboliteComponentSourceComments
Macaranga tanarius (ncbitaxon:109849) leaf (BTO:0000713) PubMed (11421757)
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.
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
tanariflavanone B (CHEBI:66189) has role allelochemical (CHEBI:62215)
tanariflavanone B (CHEBI:66189) has role plant metabolite (CHEBI:76924)
tanariflavanone B (CHEBI:66189) is a 4'-hydroxyflavanones (CHEBI:140331)
tanariflavanone B (CHEBI:66189) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(2S)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one
Registry NumbersSources
Reaxys:8882587Reaxys
Citations