<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4100</id>
  <title>T3D4046</title>
  <common-name>Tenuazonic acid</common-name>
  <description>Tenuazonic acid is a toxic secondary metabolite, produced by Alternaria (e. g. Alternaria alternata or Alternaria tenuis) and Phoma species. It inhibits the protein synthesis machinery. Tenuazonic acid belongs to the family of Beta-Amino Ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the C2 carbon atom.</description>
  <cas>610-88-8</cas>
  <pubchem-id>54678599</pubchem-id>
  <chemical-formula>C10H15NO3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>74 - 75.5°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Tenuazonic acid is a toxic secondary metabolite, produced by Alternaria (e. g. Alternaria alternata or Alternaria tenuis) and Phoma species.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:56:30Z</created-at>
  <updated-at type="dateTime">2026-05-20T22:47:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Tenuazonic_acid</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C08511</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC(C)C1NC(=O)C(C(C)=O)=C1O</moldb-smiles>
  <moldb-formula>C10H15NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)</moldb-inchi>
  <moldb-inchikey>CEIZFXOZIQNICU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">197.231</moldb-average-mass>
  <moldb-mono-mass type="decimal">197.105193351</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB36074</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>10633644</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003006</chemdb-id>
  <dsstox-id>DTXSID701017805</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00067068</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>66.4</moldb-polar-surface-area>
  <moldb-refractivity>52.73030000000001</moldb-refractivity>
  <moldb-polarizability>20.60632372310234</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>2.8067589277166642</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-0.5461083056826469</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>0.17</moldb-alogps-logp>
  <moldb-alogps-logs>-1.41</moldb-alogps-logs>
  <moldb-alogps-solubility>7.60e+00 g/l</moldb-alogps-solubility>
</compound>
