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CHEBI:65912 - FR191512

ChEBI IDCHEBI:65912
ChEBI NameFR191512
Stars
DefinitionA polyphenol which is the benzoate ester obtained by formal condensation of the hydroxy ester derivative produced by the successive intermolecular condensation of 3 molecules of 2,4-dihydroxy-6-(2-hydroxypropyl)benzoic acid with the carboxy OH of o-orsellinic acid. It is isolated from the Fungus strain no.17415 and exhibits activity against the infectivity of influenza A virus.
Last Modified9 October 2012
DownloadsMolfile
FormulaC38H38O16
Net Charge0
Average Mass750.706
Monoisotopic Mass750.21599
SMILESCc1cc(O)cc(O)c1C(=O)OC(C)Cc1cc(O)cc(O)c1C(=O)OC(C)Cc1cc(O)cc(O)c1C(=O)OC(C)Cc1cc(O)cc(O)c1C(=O)O
InChIInChI=1S/C38H38O16/c1-16-5-23(39)12-27(43)31(16)36(49)52-18(3)7-21-10-25(41)14-29(45)33(21)38(51)54-19(4)8-22-11-26(42)15-30(46)34(22)37(50)53-17(2)6-20-9-24(40)13-28(44)32(20)35(47)48/h5,9-15,17-19,39-46H,6-8H2,1-4H3,(H,47,48)
InChIKeyHCXQIVLHUHTXGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fungi- PubMed (11217798) Strain: 17415
Roles Classification
Biological Roles:
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor  An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor  An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
ChEBI Ontology
Outgoing Relation(s)
FR191512 (CHEBI:65912) has functional parent o-orsellinic acid (CHEBI:32807)
FR191512 (CHEBI:65912) has role EC 3.2.1.18 (exo-α-sialidase) inhibitor (CHEBI:52425)
FR191512 (CHEBI:65912) has role metabolite (CHEBI:25212)
FR191512 (CHEBI:65912) is a benzoate ester (CHEBI:36054)
FR191512 (CHEBI:65912) is a polyphenol (CHEBI:26195)
IUPAC Name 
2-{2-[(2-{2-[(2-{2-[(2,4-dihydroxy-6-methylbenzoyl)oxy]propyl}-4,6-dihydroxybenzoyl)oxy]propyl}-4,6-dihydroxybenzoyl)oxy]propyl}-4,6-dihydroxybenzoic acid
Registry NumbersSources
Reaxys:8750768Reaxys
Citations