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CHEBI:65793 - diinsinin

ChEBI IDCHEBI:65793
ChEBI Namediinsinin
Stars
DefinitionA biflavonoid isolated from the rhizome of Sarcophyte piriei and exhibits anti-inflammatory activity.
Last Modified8 March 2013
DownloadsMolfile
FormulaC36H32O15
Net Charge0
Average Mass704.637
Monoisotopic Mass704.17412
SMILES[H][C@@]12C[C@@](c3ccc(O)c(O)c3)(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c31)Oc1cc(O)c3c(c12)O[C@@]([H])(c1ccc(O)cc1)CC3=O
InChIInChI=1S/C36H32O15/c37-13-27-31(44)32(45)33(46)35(49-27)47-17-8-21(41)28-18-12-36(50-25(28)9-17,15-3-6-19(39)20(40)7-15)51-26-11-23(43)30-22(42)10-24(48-34(30)29(18)26)14-1-4-16(38)5-2-14/h1-9,11,18,24,27,31-33,35,37-41,43-46H,10,12-13H2/t18-,24-,27-,31-,32+,33-,35-,36-/m1/s1
InChIKeyFTKAVFCYTQUGTN-BNDLDUQUSA-N
Species of MetaboliteComponentSourceComments
Sarcophyte piriei (IPNI:103399-1) - PubMed (8786365) A parasitic plant that grows on the root of Acacia species
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
diinsinin (CHEBI:65793) has role anti-inflammatory agent (CHEBI:67079)
diinsinin (CHEBI:65793) has role metabolite (CHEBI:25212)
diinsinin (CHEBI:65793) is a biflavonoid (CHEBI:50128)
diinsinin (CHEBI:65793) is a hydroxyflavonoid (CHEBI:71968)
diinsinin (CHEBI:65793) is a monosaccharide derivative (CHEBI:63367)
diinsinin (CHEBI:65793) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2R,8R,14R)-8-(3,4-dihydroxyphenyl)-5,13-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H,14H-8,14-methanochromeno[7,8-d][1,3]benzodioxocin-11-yl β-D-glucopyranoside
Synonym  Source
5,7,3',4'-tetrahydroxyflavanyl-7-O-β-glucosyl-(4β-8;2β-O-7)-naringeninChEBI
Registry NumbersSources
CAS:176739-80-3ChemIDplus
Citations