CHEBI:69472 - purpurester A

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ChEBI Name purpurester A
ChEBI ID CHEBI:69472
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16O5
Net Charge 0
Average Mass 252.26310
Monoisotopic Mass 252.09977
InChI InChI=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
InChIKey CHYNVNQRYJSKBG-ZDUSSCGKSA-N
SMILES CCC[C@]1(OC)OC(=O)c2c1cc(O)c(O)c2C
Metabolite of Species Details
Penicillium purpurogenum (NCBI:txid28575) Found in mycelium (BTO:0001436). Ethylacetate extract of fermentation broth and acetone extract of mycelia of strain JS03 21 See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent
A substance that destroys or inhibits replication of viruses.
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 γ-lactone (CHEBI:37581)
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)
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)-one ChEBI
Registry Number Type Source
21878448 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21879714 PubMed citation Europe PMC
Last Modified
06 November 2013