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CHEBI:65423 - ardimerin digallate

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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