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CHEBI:65423 - ardimerin digallate

ChEBI IDCHEBI:65423
ChEBI Nameardimerin digallate
Stars
DefinitionA C-glycosyl compound isolated from the whole plants of Ardisia japonica. It is a dimeric lactone that exhibits inhibitory activity against HIV-1 RNAse H.
Last Modified9 November 2012
DownloadsMolfile
FormulaC42H40O26
Net Charge0
Average Mass960.756
Monoisotopic Mass960.18078
SMILES[H][C@@]1(c2cc3c(c(O)c2OC)OC(=O)c2cc([C@]4([H])O[C@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c2OC3=O)O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C42H40O26/c1-61-33-13(35-29(53)27(51)25(49)21(65-35)9-63-39(57)11-3-17(43)23(47)18(44)4-11)7-15-37(31(33)55)67-42(60)16-8-14(34(62-2)32(56)38(16)68-41(15)59)36-30(54)28(52)26(50)22(66-36)10-64-40(58)12-5-19(45)24(48)20(46)6-12/h3-8,21-22,25-30,35-36,43-56H,9-10H2,1-2H3/t21-,22-,25-,26-,27+,28+,29-,30-,35+,36+/m1/s1
InChIKeyDXKGWDISVOGUDQ-XHWFIBSOSA-N
Species of MetaboliteComponentSourceComments
Ardisia japonica (ncbitaxon:276775) whole plant (BTO:0001461) PubMed (17397219)
Roles Classification
Biological Roles:
EC 3.1.26.13 (retroviral ribonuclease H) inhibitor  An inhibitor of ribonuclease H (EC 3.1.26.13), an enzyme required for specific hydrolysis of the RNA strand of an RNA/DNA hybrid.
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)
ardimerin digallate (CHEBI:65423) has role EC 3.1.26.13 (retroviral ribonuclease H) inhibitor (CHEBI:52629)
ardimerin digallate (CHEBI:65423) has role metabolite (CHEBI:25212)
ardimerin digallate (CHEBI:65423) is a C-glycosyl compound (CHEBI:20857)
ardimerin digallate (CHEBI:65423) is a aromatic ether (CHEBI:35618)
ardimerin digallate (CHEBI:65423) is a gallate ester (CHEBI:37576)
ardimerin digallate (CHEBI:65423) is a lactone (CHEBI:25000)
Synonym  Source
ardimerin 6,6'-digallateChEBI
Registry NumbersSources
Reaxys:11199123Reaxys
Citations