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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:isofenphos
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Accession:CHEBI:6009 term browser browse the term
Definition:A salicylate that has formula C15H24NO4PS.
Synonyms:exact_synonym: propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphorothioyl}oxy)benzoate
 related_synonym: 1-methylethyl 2-({ethoxy[(1-methylethyl)amino]phosphorothioyl}oxy)benzoate;   1-methylethyl-2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy) benzoate;   2-[[ethoxy[(1-methylethyl)amino]phosphinothioyl]oxy]benzoic acid 1-methylethyl ester;   Formula=C15H24NO4PS;   InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22);   InChIKey=HOQADATXFBOEGG-UHFFFAOYSA-N;   O-ethyl O-(2-isopropoxycarbonyl)phenyl isopropylphosphoramidothioate;   Oftanol;   SMILES=CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C;   isophenphos;   isopropyl 2-{[ethoxy(isopropylamino)phosphorothioyl]oxy}benzoate;   isopropylsalicylate, O-ester with O-ethyl isopropylphosphoramidothioate
 xref: Beilstein:2949615;   CAS:25311-71-1;   KEGG:C11002
 xref_mesh: MESH:C035019
 xref: PPDB:406



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isofenphos term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor multiple interactions ISO Dihydrotestosterone inhibits the reaction [isofenphos results in increased activity of AR protein] CTD PMID:15064155 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression ISO isofenphos results in increased expression of CYP3A4 mRNA CTD PMID:17293382 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO isofenphos results in increased activity of ESR1 protein CTD PMID:15064155 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO isofenphos binds to and results in increased activity of NR1I2 protein; isofenphos metabolite binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 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 isofenphos 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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      application 19781
        agrochemical 15233
          isofenphos 5
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        monocarboxylic acid 17843
                                          fatty acid 16480
                                            fatty acid derivative 8762
                                              fatty alcohol 5997
                                                secondary fatty alcohol 780
                                                  propan-2-ol 780
                                                    isopropyl ester 765
                                                      isopropyl salicylate 17
                                                        isofenphos 5
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