EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69743 - mucusisoflavone C

ChEBI IDCHEBI:69743
ChEBI Namemucusisoflavone C
Stars
DefinitionA hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso.
Last Modified24 June 2015
DownloadsMolfile
FormulaC40H34O10
Net Charge0
Average Mass674.702
Monoisotopic Mass674.21520
SMILESCC(C)=CCc1cc(-c2coc3c(C(C=C(C)C)c4cc(-c5coc6cc(O)cc(O)c6c5=O)ccc4O)c(O)cc(O)c3c2=O)ccc1O
InChIInChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
InChIKeyHCKWMBTVENMFOU-UHFFFAOYSA-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 Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
mucusisoflavone C (CHEBI:69743) has role plant metabolite (CHEBI:76924)
mucusisoflavone C (CHEBI:69743) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
8-{1-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl]-3-methylbut-2-en-1-yl}-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-1-benzopyran-4-one
Synonym  Source
8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-oneChEBI
Registry NumbersSources
Reaxys:21646914Reaxys
Citations