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

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent  A substance that destroys or inhibits replication of viruses.
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
2,6-dihydroxy-4-{5-hydroxy-7-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}phenyl 3,4,5-trihydroxybenzoateChEBI
tricetiflavan-7,4'-di-O-gallateChEBI
Registry NumbersSources
Reaxys:15869678Reaxys
Citations