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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:pendimethalin
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Accession:CHEBI:83569 term browser browse the term
Definition:A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.
Synonyms:exact_synonym: 3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline
 related_synonym: 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline;   Formula=C13H19N3O4;   InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3;   InChIKey=CHIFOSRWCNZCFN-UHFFFAOYSA-N;   N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine;   N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline;   N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine;   N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline;   Penoxalin;   Penoxaline;   Penoxyn;   Phenoxalin;   SMILES=CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O;   pendimethaline
 alt_id: CHEBI:7958
 xref: CAS:40487-42-1;   KEGG:C11019
 xref_mesh: MESH:C030856
 xref: PMID:22983723;   PMID:23646829;   PMID:24007481;   PMID:24183287;   PMID:24240661;   PMID:24293324;   PMID:24587520;   PMID:24688423;   PMID:25145238;   PMID:25398239;   PPDB:511;   Pesticides:pendimethalin;   Reaxys:2157711;   Wikipedia:Pendimethalin


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pendimethalin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alb albumin affects binding ISO pendimethalin binds to ALB protein CTD PMID:27636401 NCBI chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
JBrowse link
G Ar androgen receptor multiple interactions
decreases expression
ISO
EXP
Dihydrotestosterone inhibits the reaction [pendimethalin results in increased activity of AR protein]
pendimethalin results in decreased expression of AR mRNA
CTD PMID:15064155 PMID:19897005 NCBI chr  X:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
JBrowse link
G Bax BCL2 associated X, apoptosis regulator increases expression EXP pendimethalin results in increased expression of BAX mRNA CTD PMID:30459330 NCBI chr 1:101,451,801...101,457,207
Ensembl chr 1:101,451,802...101,457,207
JBrowse link
G Bcl2 BCL2, apoptosis regulator decreases expression EXP pendimethalin results in decreased expression of BCL2 mRNA CTD PMID:30459330 NCBI chr13:26,605,426...26,769,374
Ensembl chr13:26,605,426...26,769,374
JBrowse link
G Casp3 caspase 3 increases expression EXP pendimethalin results in increased expression of CASP3 mRNA CTD PMID:30459330 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204
JBrowse link
G Cat catalase decreases activity EXP pendimethalin results in decreased activity of CAT protein CTD PMID:30459330 NCBI chr 3:93,379,872...93,412,058
Ensembl chr 3:93,379,874...93,412,058
JBrowse link
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 multiple interactions ISO CYP2B6 protein results in increased metabolism of and results in decreased susceptibility to pendimethalin CTD PMID:15853388 NCBI chr 1:83,163,103...83,236,615
Ensembl chr 1:83,163,079...83,236,615
JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO pendimethalin results in increased activity of ESR1 protein CTD PMID:15064155 PMID:20143881 NCBI chr 1:41,192,029...41,594,799
Ensembl chr 1:41,192,824...41,594,796
JBrowse link
G Esr2 estrogen receptor 2 increases activity
increases expression
ISO
EXP
pendimethalin results in increased activity of ESR2 protein
pendimethalin results in increased expression of ESR2 mRNA
CTD PMID:15064155 PMID:19897005 NCBI chr 6:99,163,953...99,214,711
Ensembl chr 6:99,164,357...99,214,251
JBrowse link
G Ifng interferon gamma increases expression EXP pendimethalin results in increased expression of IFNG mRNA CTD PMID:30459330 NCBI chr 7:61,337,383...61,341,419
Ensembl chr 7:61,337,381...61,341,419
JBrowse link
G Igf1 insulin-like growth factor 1 decreases expression EXP pendimethalin results in decreased expression of IGF1 mRNA CTD PMID:19897005 NCBI chr 7:28,412,123...28,491,815
Ensembl chr 7:28,412,198...28,486,609
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO pendimethalin binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 NCBI chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 increases activity ISO pendimethalin results in increased activity of NR1I3 protein CTD PMID:28927721 NCBI chr13:89,585,072...89,591,278
Ensembl chr13:89,586,283...89,591,277
JBrowse link
G Thrb thyroid hormone receptor beta affects binding ISO pendimethalin binds to THRB protein CTD PMID:28973306 NCBI chr15:8,890,578...9,239,815
Ensembl chr15:8,890,578...9,086,282
JBrowse link
G Tnf tumor necrosis factor increases expression EXP pendimethalin results in increased expression of TNF mRNA CTD PMID:30459330 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link

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  CHEBI ontology 19767
    role 19714
      application 19403
        agrochemical 14672
          pendimethalin 15
Path 2
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  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    main group molecular entity 19657
                      s-block molecular entity 19421
                        hydrogen molecular entity 19414
                          hydrides 18754
                            inorganic hydride 17459
                              pnictogen hydride 17434
                                nitrogen hydride 17281
                                  azane 17016
                                    ammonia 17015
                                      organic amino compound 17014
                                        aromatic amine 13683
                                          anilines 12360
                                            substituted aniline 11856
                                              pendimethalin 15
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