<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3780</id>
  <title>T3D3726</title>
  <common-name>Aflatrem</common-name>
  <description>Aflatrem is a tremorgenic mycotoxin that has been found in the fungus Aspergillus flavus. Tremorgenic mycotoxins affect central nervous system activity and have been implicated in a number of neurologic diseases of cattle collectively known as "staggers syndromes". (A2974)</description>
  <cas>70553-75-2</cas>
  <pubchem-id>107718</pubchem-id>
  <chemical-formula>C32H39NO4</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Tremorgenic mycotoxins exert their toxic effects by interfering with neurotransmitter release, possibly by causing degeneration of nerve terminals. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. In addition, aflatrem inhibits presynaptic high-conductance Ca+2 activated maxi-K+ channels in the smooth muscle. (A2974, A2975, A2976, A2993)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Aflatrem is a tremorgenic mycotoxin that has been found in the fungus Aspergillus flavus. (A2974)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Tremorgenic mycotoxins affect central nervous system activity. They cause a neurological disease of cattle known as "staggers syndrome". (A2974)</health-effects>
  <symptoms>Tremorgenic mycotoxins affect central nervous system activity, inducing neurologic symptoms including mental confusion, paralysis, tremors, seizures, and death. They cause a neurological disease of cattle known as "staggers syndrome", which is characterized by muscle tremors and hyperexcitability. (A2974)
</symptoms>
  <treatment>To control severe tremorscaused by tremorgenic mycotoxins, methocarbamol should be administered. Generalized seizures may be treated with diazepam followed by methocarbamol or a barbiturate such as pentobarbital sodium. Gastric lavage should be performed and activated charcoal administered to limit further absorption of toxins. (A744)</treatment>
  <created-at type="dateTime">2010-05-03T19:08:59Z</created-at>
  <updated-at type="dateTime">2026-04-06T14:00:54Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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>CC(C)(C=C)C1=C2C3=C(NC2=CC=C1)C1(C)C(C3)CCC2(O)C3=CC(=O)C4OC3(CCC12C)OC4(C)C</moldb-smiles>
  <moldb-formula>C32H39NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3</moldb-inchi>
  <moldb-inchikey>YVDJBQQJIDPRKP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">501.6564</moldb-average-mass>
  <moldb-mono-mass type="decimal">501.287908741</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>96887</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002695</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00127058</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>71.55</moldb-polar-surface-area>
  <moldb-refractivity>144.59510000000003</moldb-refractivity>
  <moldb-polarizability>57.18274768741751</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.617501355950719</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.4033673277239957</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>6.06</moldb-alogps-logp>
  <moldb-alogps-logs>-6.93</moldb-alogps-logs>
  <moldb-alogps-solubility>5.94e-05 g/l</moldb-alogps-solubility>
</compound>
