<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4590</id>
  <title>T3D4536</title>
  <common-name>Spirodiclofen</common-name>
  <description>Spirodiclofen is a solid organic compound with the formula C21H24Cl2O4 and an average molecular weight of 411.32 g/mol. Spirodiclofen belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous substance is a foliar applied acaricide that disrupts mite development, providing selective, non-systemic action against a range of mites on nuts and fruit.

The compound is associated with two recorded sources: pesticides used in agriculture and land management, and drinking water. Exposure can occur through oral, inhalation, and touch routes. In biological systems, spirodiclofen interacts with 16 recorded protein targets, which include interleukin-1 alpha (IL1A), transforming growth factor beta-1 proprotein (TGFB1), peroxisome proliferator-activated receptor gamma (PPARG), and plasminogen activator inhibitor 1 (SERPINE1), along with 12 other proteins.</description>
  <cas>148477-71-8</cas>
  <pubchem-id>22833506</pubchem-id>
  <chemical-formula>C21H24Cl2O4</chemical-formula>
  <weight nil="true"/>
  <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 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>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:46Z</created-at>
  <updated-at type="dateTime">2026-03-27T00:43:31Z</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>CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC(Cl)=CC(Cl)=C1</moldb-smiles>
  <moldb-formula>C21H24Cl2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3</moldb-inchi>
  <moldb-inchikey>OYNVHVAEOLJJPV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">411.319</moldb-average-mass>
  <moldb-mono-mass type="decimal">410.10516467</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1894707</chembl-id>
  <chemspider-id>17215909</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>CHEM003496</chemdb-id>
  <dsstox-id>DTXSID6034928</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00006322</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area>
  <moldb-refractivity>105.56009999999998</moldb-refractivity>
  <moldb-polarizability>42.52717919160768</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-6.866216070078845</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>6.39</moldb-alogps-logp>
  <moldb-alogps-logs>-6.32</moldb-alogps-logs>
  <moldb-alogps-solubility>1.98e-04 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Halobenzenes</subklass>
  <paper-count type="integer">409</paper-count>
  <sync-id>CED0011971</sync-id>
  <structure-inchikey>OYNVHVAEOLJJPV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000200810000002000000000000000080000000080000000000000000003000020000000000000800000800000100000020000000000000000000000000000400000000000000000000020800000000100000000000000000000020000010000000000000000100000000000020000000000000000000010000800000048000000800000000000000000a00000000000000000108000000000200000000000000000000000080000000000000010000000000800000000000000000000000000200000000002000000000010000000000040101000000000000000000000000000080040040000080400000000000080000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������(�������(�������(�������(�������(�������(�������(�������(������� ������`�������`�������`�������`�������`������@(������@h�������@(������� �����@h�������@(������� �����@h������������������������(��� �� �	(�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:20Z</structure-indexed-at>
</compound>
