CHEBI:65912 - FR191512

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ChEBI Name FR191512
ChEBI ID CHEBI:65912
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H38O16
Net Charge 0
Average Mass 750.69870
Monoisotopic Mass 750.21599
InChI InChI=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)
InChIKey HCXQIVLHUHTXGC-UHFFFAOYSA-N
SMILES CC(Cc1cc(O)cc(O)c1C(O)=O)OC(=O)c1c(O)cc(O)cc1CC(C)OC(=O)c1c(O)cc(O)cc1CC(C)OC(=O)c1c(C)cc(O)cc1O
Metabolite of Species Details
Fungi of strain 17415 See: PubMed
Roles Classification
Biological Role(s): 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(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
8750768 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11217797 PubMed citation Europe PMC
11217798 PubMed citation Europe PMC
Last Modified
09 October 2012