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<compound>
  <id type="integer">1048</id>
  <title>T3D1044</title>
  <common-name>Emamectin B1b</common-name>
  <description>Emamectin B1b is an exogenous compound that exists as a solid at room temperature. Its chemical formula is C48H73NO13. Emamectin B1b belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 872.09 g/mol, Emamectin B1b is a heavy molecule.

The compound interacts with eleven recorded protein targets. These include the Transient receptor potential cation channel subfamily A member 1 (TRPA1) and several gamma-aminobutyric acid receptor subunits, specifically GABRA1, GABRG1, GABRG2, and GABRR2. It is characterized by low solubility in water and extensive non-specific binding. Mechanistically, it opens GABA-insensitive chloride channels, which increases inward conductance and reduces membrane resistance.</description>
  <cas>121424-52-0</cas>
  <pubchem-id>16722138</pubchem-id>
  <chemical-formula>C48H73NO13</chemical-formula>
  <weight>871.508190</weight>
  <appearance>White powder.</appearance>
  <melting-point></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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>It has low solubility in water and extensive non-specific binding. It opens GABA-insensitive chloride channels, reducing membrane resistance and increasing conductance inward. (T10)</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>Not listed by IARC.</carcinogenicity>
  <use-source>Active ingredient in some commercial ant bait traps. (L829)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Avermectins are neurotoxic and have reproductive and developmental effects. (L1826)</health-effects>
  <symptoms>Avermectins cause irritation of skin and eyes, central nervous system depression (incoordination, tremors, lethargy, excitation, pupil dilation, coma), vomiting, convulsions and/or tremors, and respiratory failure at high doses. (L1826)</symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2009-06-18T20:15:07Z</created-at>
  <updated-at type="dateTime">2026-04-06T04:20:18Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>39232</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>Emamectin B1b</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]4C[C@@H](C\C=C1/C)O[C@@]1(C=C[C@H](C)[C@@H](C(C)C)O1)C4)[C@]23O</moldb-smiles>
  <moldb-formula>C48H73NO13</moldb-formula>
  <moldb-inchi>InChI=1S/C48H73NO13/c1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,47+,48+/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal">872.0921</moldb-average-mass>
  <moldb-mono-mass type="decimal">871.508191427</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>16738623</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>CHEM000901</chemdb-id>
  <dsstox-id>DTXSID80153265</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00099446</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>161.86</moldb-polar-surface-area>
  <moldb-refractivity>233.0109000000001</moldb-refractivity>
  <moldb-polarizability>96.00191221274002</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>13</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.55378699020881</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.340549850919638</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>3.92</moldb-alogps-logp>
  <moldb-alogps-logs>-5.09</moldb-alogps-logs>
  <moldb-alogps-solubility>7.05e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0020618</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T03:59:58Z</structure-indexed-at>
</compound>
