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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 chr14:17,607,397...17,622,814
Ensembl chr14:17,607,381...17,622,836
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 inhibits the reaction [[6-fluorotestosterone co-treated with Norgestrel] binds to and results in increased activity of AR protein]
pendimethalin results in decreased expression of AR mRNA
CTD PMID:15064155 PMID:19897005 PMID:33049310 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
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 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
JBrowse link
G Bcl2 BCL2, apoptosis regulator decreases expression EXP pendimethalin results in decreased expression of BCL2 mRNA CTD PMID:30459330 NCBI chr13:22,689,783...22,853,920 JBrowse link
G Casp3 caspase 3 increases expression EXP pendimethalin results in increased expression of CASP3 mRNA CTD PMID:30459330 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Cat catalase decreases activity EXP pendimethalin results in decreased activity of CAT protein CTD PMID:30459330 NCBI chr 3:89,842,393...89,874,577
Ensembl chr 3:89,842,399...89,874,478
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 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
JBrowse link
G Esr1 estrogen receptor 1 increases activity
multiple interactions
ISO pendimethalin results in increased activity of ESR1 protein
pendimethalin binds to and results in increased activity of ESR1 protein
CTD PMID:15064155 PMID:20143881 PMID:33049310 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
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 6:94,858,438...94,909,630
Ensembl chr 6:94,809,547...94,908,919
JBrowse link
G Ifng interferon gamma increases expression EXP pendimethalin results in increased expression of IFNG mRNA CTD PMID:30459330 NCBI chr 7:53,903,339...53,907,375
Ensembl chr 7:53,903,337...53,907,375
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 7:22,282,895...22,361,972
Ensembl chr 7:22,282,930...22,359,296
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 PMID:33049310 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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 chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
JBrowse link
G Pparg peroxisome proliferator-activated receptor gamma multiple interactions ISO pendimethalin binds to and results in increased activity of PPARG protein CTD PMID:33049310 NCBI chr 4:148,423,102...148,548,471
Ensembl chr 4:148,423,194...148,548,468
JBrowse link
G Thrb thyroid hormone receptor beta affects binding ISO pendimethalin binds to THRB protein CTD PMID:28973306 NCBI chr15:7,685,180...8,031,920
Ensembl chr15:7,685,180...7,882,916
JBrowse link
G Tnf tumor necrosis factor increases expression EXP pendimethalin results in increased expression of TNF mRNA CTD PMID:30459330 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link

Term paths to the root
Path 1
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  CHEBI ontology 20089
    role 20042
      application 19781
        agrochemical 15233
          pendimethalin 16
Path 2
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  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    main group molecular entity 19960
                      s-block molecular entity 19784
                        hydrogen molecular entity 19777
                          hydrides 19115
                            inorganic hydride 17901
                              pnictogen hydride 17884
                                nitrogen hydride 17773
                                  azane 17503
                                    ammonia 17521
                                      organic amino compound 17521
                                        aromatic amine 14915
                                          anilines 13987
                                            substituted aniline 13665
                                              pendimethalin 16
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