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CHEBI:69475 - TAN-931

Default Structure
ChEBI IDCHEBI:69475
ChEBI NameTAN-931
Stars
DefinitionA member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 3, a hydroxy group at position 5 and a 2,6-dihydroxybenzoyl group at position 4. Isolated from Penicillium purpurogenum, it exhibits antiviral activity.
Last Modified13 January 2014
DownloadsMolfile
FormulaC15H10O7
Net Charge0
Average Mass302.238
Monoisotopic Mass302.04265
SMILESO=Cc1cc(C(=O)O)cc(O)c1C(=O)c1c(O)cccc1O
InChIInChI=1S/C15H10O7/c16-6-8-4-7(15(21)22)5-11(19)12(8)14(20)13-9(17)2-1-3-10(13)18/h1-6,17-19H,(H,21,22)
InChIKeyINVAPAXTQZQLGN-UHFFFAOYSA-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
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
EC 1.14.14.14 (aromatase) inhibitor  An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones.
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
TAN-931 (CHEBI:69475) has role Penicillium metabolite (CHEBI:76964)
TAN-931 (CHEBI:69475) has role antiviral agent (CHEBI:22587)
TAN-931 (CHEBI:69475) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790)
TAN-931 (CHEBI:69475) is a benzaldehydes (CHEBI:22698)
TAN-931 (CHEBI:69475) is a benzoic acids (CHEBI:22723)
TAN-931 (CHEBI:69475) is a benzophenones (CHEBI:22726)
TAN-931 (CHEBI:69475) is a resorcinols (CHEBI:33572)
IUPAC Name 
4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid
Synonym  Source
Tan 931ChemIDplus
Manual XrefsDatabases
EP0342665Patent
Registry NumbersSources
Reaxys:21878450Reaxys
CAS:127448-92-4ChemIDplus
Citations