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CHEBI:69472 - purpurester A

ChEBI IDCHEBI:69472
ChEBI Namepurpurester A
Stars
DefinitionA member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methoxy group at position 3, a methyl group at position 7 and a propyl group at position 3. It has been isolated from Penicillium purpurogenum.
Last Modified6 November 2013
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCCC[C@]1(OC)OC(=O)c2c1cc(O)c(O)c2C
InChIInChI=1S/C13H16O5/c1-4-5-13(17-3)8-6-9(14)11(15)7(2)10(8)12(16)18-13/h6,14-15H,4-5H2,1-3H3/t13-/m0/s1
InChIKeyCHYNVNQRYJSKBG-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium purpurogenum (ncbitaxon:28575) mycelium (BTO:0001436) PubMed (21879714) Ethylacetate extract of fermentation broth and acetone extract of mycelia Strain: JS03 21
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.
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
purpurester A (CHEBI:69472) has role Penicillium metabolite (CHEBI:76964)
purpurester A (CHEBI:69472) has role antiviral agent (CHEBI:22587)
purpurester A (CHEBI:69472) has role metabolite (CHEBI:25212)
purpurester A (CHEBI:69472) is a 2-benzofurans (CHEBI:38831)
purpurester A (CHEBI:69472) is a catechols (CHEBI:33566)
purpurester A (CHEBI:69472) is a ether (CHEBI:25698)
purpurester A (CHEBI:69472) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S)-5,6-dihydroxy-3-methoxy-7-methyl-3-propyl-2-benzofuran-1(3H)-one
Synonym  Source
(S)-5,6-dihydroxy-3-methoxy-7-methyl-3-propylisobenzofuran-1(3H)-oneChEBI
Registry NumbersSources
Reaxys:21878448Reaxys
Citations