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CHEBI:69741 - mucusisoflavone A

ChEBI IDCHEBI:69741
ChEBI Namemucusisoflavone A
Stars
DefinitionA hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso.
Last Modified24 June 2015
DownloadsMolfile
FormulaC40H32O10
Net Charge0
Average Mass672.686
Monoisotopic Mass672.19955
SMILESCC1=C[C@H](c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)[C@](C)(/C=C/c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)CC1
InChIInChI=1S/C40H32O10/c1-20-7-9-40(2,10-8-23-12-21(3-5-30(23)43)27-18-49-34-16-24(41)14-32(45)36(34)38(27)47)29(11-20)26-13-22(4-6-31(26)44)28-19-50-35-17-25(42)15-33(46)37(35)39(28)48/h3-6,8,10-19,29,41-46H,7,9H2,1-2H3/b10-8+/t29-,40+/m1/s1
InChIKeyUXLMHNXEKOQLBQ-DCAFODOZSA-N
Species of MetaboliteComponentSourceComments
Ficus mucuso (ncbitaxon:309328) fruit (BTO:0000486) PubMed (21619045) Methanolic extract of air-dried and powdered figs(fruits)
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.
EC 3.2.1.31 (beta-glucuronidase) inhibitor  An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of β-glucuronidase (EC 3.2.1.31).
ChEBI Ontology
Outgoing Relation(s)
mucusisoflavone A (CHEBI:69741) has role EC 3.2.1.31 (β-glucuronidase) inhibitor (CHEBI:76822)
mucusisoflavone A (CHEBI:69741) has role plant metabolite (CHEBI:76924)
mucusisoflavone A (CHEBI:69741) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
rel-3-(3-{(E)-2-[(1S,2S)-5'-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2'-hydroxy-2,5-dimethyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-2-yl]ethenyl}-4-hydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Registry NumbersSources
Reaxys:21646916Reaxys
Citations