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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:iberin
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Accession:CHEBI:89494 term browser browse the term
Definition:An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa.
Synonyms:related_synonym: 1-Isothiocyanato-3-(methylsulfinyl)propane;   3-Isothiocyanatopropyl methyl sulfoxide;   Formula=C5H9NOS2;   IMSP;   InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3;   InChIKey=LELAOEBVZLPXAZ-UHFFFAOYSA-N;   Methylsulfinylpropylisothiocyanate;   SMILES=N(CCCS(C)=O)=C=S
 xref: AGR:IND20390343;   CAS:505-44-2;   FooDB:FDB023829;   HMDB:HMDB0006095
 xref_mesh: MESH:C082585
 xref: PMID:15740016;   PMID:16289008;   PMID:16931178;   PMID:17167713;   PMID:17273780;   PMID:17310076;   PMID:19489030;   PMID:22286987;   PMID:23403058;   PMID:25155599;   PMID:26679410;   PMID:8225130;   Reaxys:1722951


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iberin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cat catalase increases activity EXP iberin results in increased activity of CAT protein CTD PMID:22664424 NCBI chr 3:93,379,872...93,412,058
Ensembl chr 3:93,379,874...93,412,058
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions EXP iberin results in decreased activity of [CYP1A2 protein co-treated with CYP1A1 protein] CTD PMID:22664424 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 multiple interactions EXP iberin results in decreased activity of [CYP1A2 protein co-treated with CYP1A1 protein] CTD PMID:22664424 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 decreases expression
decreases activity
EXP iberin results in decreased expression of CYP3A2 mRNA
iberin results in decreased activity of CYP3A2 protein
CTD PMID:22664424 NCBI chr12:11,641,500...11,677,818
Ensembl chr12:11,655,402...11,733,136
JBrowse link
G Gsr glutathione-disulfide reductase increases activity EXP iberin results in increased activity of GSR protein CTD PMID:22664424 NCBI chr16:62,197,617...62,239,987
Ensembl chr16:62,197,617...62,241,361
JBrowse link
G Gsta3 glutathione S-transferase alpha 3 increases activity ISO iberin results in increased activity of GSTA3 promoter CTD PMID:19232536 NCBI chr 9:27,357,490...27,417,023
Ensembl chr 9:27,402,381...27,417,023
JBrowse link
G Hmox1 heme oxygenase 1 increases activity
increases expression
EXP iberin results in increased activity of HMOX1 protein
iberin results in increased expression of HMOX1 mRNA; iberin results in increased expression of HMOX1 protein
CTD PMID:22664424 NCBI chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456
JBrowse link
G Irak4 interleukin-1 receptor-associated kinase 4 multiple interactions ISO iberin inhibits the reaction [Lipopolysaccharides results in increased phosphorylation of IRAK4 protein] CTD PMID:25294874 NCBI chr 7:135,803,723...135,831,006
Ensembl chr 7:135,803,698...135,832,652
JBrowse link
G Nfe2l2 nuclear factor, erythroid 2-like 2 increases expression EXP iberin results in increased expression of NFE2L2 protein CTD PMID:22664424 NCBI chr 3:62,497,568...62,525,146
Ensembl chr 3:62,497,571...62,524,996
JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 increases activity
increases expression
EXP iberin results in increased activity of NQO1 protein
iberin results in increased expression of NQO1 mRNA
CTD PMID:22664424 NCBI chr19:38,422,210...38,437,103
Ensembl chr19:38,422,164...38,437,180
JBrowse link
G Txnrd1 thioredoxin reductase 1 multiple interactions
increases expression
ISO iberin results in increased expression of and results in increased activity of TXNRD1 protein; Selenium promotes the reaction [iberin results in increased expression of and results in increased activity of TXNRD1 protein]
iberin results in increased expression of TXNRD1 mRNA
CTD PMID:15740016 NCBI chr 7:26,946,124...26,984,400
Ensembl chr 7:26,946,125...26,984,400
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        inhibitor 18223
          quorum sensing inhibitor 68
            iberin 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            heteroorganic entity 19148
                              organochalcogen compound 18856
                                organosulfur compound 15190
                                  sulfoxide 3718
                                    iberin 11
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