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CHEBI:65944 - 7,4'-di-O-galloyltricetiflavan

ChEBI IDCHEBI:65944
ChEBI Name7,4'-di-O-galloyltricetiflavan
Stars
ASCII Name7,4'-di-O-galloyltricetiflavan
DefinitionA diester obtained by the formal condensation of gallic acid with the hydroxy groups at positions 7 and 4' of 3',4',5',5,7-pentahydroxyflavan. Isolated from the leaves of Pithecellobium clypearia, it exhibits antiviral activity.
Last Modified6 February 2013
DownloadsMolfile
FormulaC29H22O14
Net Charge0
Average Mass594.481
Monoisotopic Mass594.10096
SMILESO=C(Oc1cc(O)c2c(c1)OC(c1cc(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c(O)c1)CC2)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C29H22O14/c30-16-9-14(41-28(39)12-5-17(31)25(37)18(32)6-12)10-24-15(16)1-2-23(42-24)11-3-21(35)27(22(36)4-11)43-29(40)13-7-19(33)26(38)20(34)8-13/h3-10,23,30-38H,1-2H2
InChIKeyLRBYDVJXPROTLX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pithecellobium clypearia (ncbitaxon:714486) leaf (BTO:0000713) PubMed (16724853)
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7,4'-di-O-galloyltricetiflavan (CHEBI:65944) has functional parent flavan (CHEBI:38691)
7,4'-di-O-galloyltricetiflavan (CHEBI:65944) has role antiviral agent (CHEBI:22587)
7,4'-di-O-galloyltricetiflavan (CHEBI:65944) has role metabolite (CHEBI:25212)
7,4'-di-O-galloyltricetiflavan (CHEBI:65944) is a diester (CHEBI:51307)
7,4'-di-O-galloyltricetiflavan (CHEBI:65944) is a gallate ester (CHEBI:37576)
7,4'-di-O-galloyltricetiflavan (CHEBI:65944) is a trihydroxyflavan (CHEBI:72012)
Synonyms  Source
tricetiflavan-7,4'-di-O-gallateChEBI
2,6-dihydroxy-4-{5-hydroxy-7-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}phenyl 3,4,5-trihydroxybenzoateChEBI
Registry NumbersSources
Reaxys:15869678Reaxys
Citations