<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3965</id>
  <title>T3D3910</title>
  <common-name>Propiconazole</common-name>
  <description>Propiconazole is a triazole fungicide, also known as a DMI, or demethylation inhibiting fungicide due to its binding with and inhibiting the 14-alpha demethylase enzyme from demethylating a precursor to ergosterol. Without this demethylation step, the ergosterols are not incorporated into the growing fungal cell membranes, and cellular growth is stopped. Propiconazole is used agriculturally on turfgrasses grown for seed and aesthetic or athletic value, mushrooms, corn, wild rice, peanuts, almonds, sorghum, oats, pecans, apricots, peaches, nectarines, plums and prunes. It is also used in combination with permethrin in formulations of wood preserver. Propiconazole is a mixture of four stereoisomers and was first developed in 1979 by Janssen Pharmaceutica.</description>
  <cas>60207-90-1</cas>
  <pubchem-id>43234</pubchem-id>
  <chemical-formula>C15H17Cl2N3O2</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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Propiconazole can decrease cholesterol levels that may cause polyploidy and disruption of mitotic cell cycling. It down-regulates the PTEN pathway and up-regulates the WNT-beta-catenin signaling pathway, that would stimulate cell proliferation and may lead to the tumorigenic outcome. (A15329)</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>Not listed by IARC.</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Propiconazole can cause corneal opacity that is reversible with 72 hours. In animal chronic toxicity tests, the benign and malignant liver tumors were found in rats and mice. Propiconazole is categorized as a possible human carcinogen. Propiconazole is also a developmental toxin that caused skeletal deformations in newborn pups.</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2013-04-25T07:56:54Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C11121</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>8489</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></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>CCCC1COC(CN2C=NC=N2)(O1)C1=CC=C(Cl)C=C1Cl</moldb-smiles>
  <moldb-formula>C15H17Cl2N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">342.22</moldb-average-mass>
  <moldb-mono-mass type="decimal">341.069782217</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL560579</chembl-id>
  <chemspider-id>39402</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"/>
</compound>
