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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:isoproturon
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Accession:CHEBI:6049 term browser browse the term
Definition:A member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.
Synonyms:exact_synonym: 1,1-dimethyl-3-[4-(propan-2-yl)phenyl]urea
 related_synonym: 1,1-dimethyl-3-(p-isopropylphenyl)-urea;   3-p-cumenyl-1,1-dimethylurea;   Formula=C12H18N2O;   InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15);   InChIKey=PUIYMUZLKQOUOZ-UHFFFAOYSA-N;   N-4-isopropylphenyl-N,N-dimethylurea;   SMILES=CC(C)c1ccc(NC(=O)N(C)C)cc1
 xref: CAS:34123-59-6;   KEGG:C11005
 xref_mesh: MESH:C028904
 xref: MetaCyc:CPD-23253;   PMCID:PMC5010538;   PMID:22231370;   PMID:23131497;   PMID:24059976;   PMID:24873700;   PMID:24974118;   PMID:25128892;   PMID:25464323;   PMID:26366929;   PMID:27317932;   PMID:27499219;   PMID:27737542;   PMID:27817898;   PPDB:409;   Pesticides:isoproturon;   Reaxys:2214033


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isoproturon term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alpl alkaline phosphatase, biomineralization associated multiple interactions EXP [Hexachlorocyclohexane co-treated with isoproturon] results in decreased activity of ALPL protein; [Hexachlorocyclohexane co-treated with isoproturon] results in increased expression of ALPL protein CTD PMID:11180283 NCBI chr 5:149,951,397...150,006,424
Ensembl chr 5:149,951,409...150,006,446 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 decreases activity ISO isoproturon results in decreased activity of CYP1A1 protein CTD PMID:18420780 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases activity
increases expression
decreases activity		 ISO isoproturon results in increased activity of CYP1A2 protein
isoproturon results in increased expression of CYP1A2 mRNA
isoproturon results in decreased activity of CYP1A2 protein		 CTD PMID:18420780 PMID:22310298 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312 		JBrowse link
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 decreases activity ISO isoproturon results in decreased activity of CYP1B1 protein CTD PMID:18420780 NCBI chr 6:15,342,312...15,350,886
Ensembl chr 6:15,342,344...15,350,917 		JBrowse link
G Cyp2a3 cytochrome P450, family 2, subfamily a, polypeptide 3 decreases activity ISO isoproturon results in decreased activity of CYP2A4 protein CTD PMID:18420780 NCBI chr 1:82,171,914...82,179,980
Ensembl chr 1:82,169,949...82,179,979 		JBrowse link
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 increases activity
increases expression		 ISO isoproturon results in increased activity of CYP2B6 protein
isoproturon results in increased expression of CYP2B6 mRNA		 CTD PMID:22310298 NCBI chr 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143 		JBrowse link
G Cyp2c6 cytochrome P450, family 2, subfamily C, polypeptide 6 decreases activity ISO isoproturon results in decreased activity of CYP2C29 protein CTD PMID:18420780 NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596 		JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 decreases activity ISO isoproturon results in decreased activity of CYP2D6 protein CTD PMID:18420780 NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759 		JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 decreases activity
multiple interactions		 ISO isoproturon results in decreased activity of CYP2E1 protein
isoproturon inhibits the reaction [CYP2E1 protein results in increased hydroxylation of Chlorzoxazone]		 CTD PMID:22634058 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases activity
increases expression
decreases activity		 ISO isoproturon results in increased activity of CYP3A4 protein
isoproturon results in increased expression of CYP3A4 mRNA
isoproturon results in decreased activity of CYP3A4 protein		 CTD PMID:18420780 PMID:22310298 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Gpt glutamic--pyruvic transaminase multiple interactions EXP [Hexachlorocyclohexane co-treated with isoproturon] results in increased activity of GPT protein CTD PMID:11180283 NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494 		JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 increases expression
increases activity		 ISO isoproturon results in increased expression of NR1I2 mRNA
isoproturon results in increased activity of NR1I2 protein		 CTD PMID:16565514 PMID:22310298 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        agrochemical 16259
          isoproturon 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      carboacyl group 17677
                                        univalent carboacyl group 17677
                                          carbamoyl group 17526
                                            carboxamide 17526
                                              monocarboxylic acid amide 15662
                                                urea 5571
                                                  ureas 5569
                                                    phenylureas 2608
                                                      3-(3,4-substituted-phenyl)-1,1-dimethylurea 2263
                                                        isoproturon 12
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