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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Definition:An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group.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:exact_synonym: 1-isothiocyanato-3-(methylsulfinyl)propane
 related_synonym: 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;   SMILES=N(CCCS(C)=O)=C=S;   methylsulfinylpropylisothiocyanate
 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 3:110,297,340...110,329,526
Ensembl chr 3:89,842,399...89,874,478 		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 8:66,991,940...66,998,014
Ensembl chr 8:58,096,077...58,102,125 		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 8:66,971,261...66,978,149
Ensembl chr 8:58,075,367...58,082,312 		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 chr12:14,321,771...14,343,886
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Gsr glutathione-disulfide reductase increases activity EXP iberin results in increased activity of GSR protein CTD PMID:22664424 NCBI chr16:65,185,574...65,228,742
Ensembl chr16:58,482,505...58,525,661 		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 chr19:13,452,365...13,479,823
Ensembl chr19:13,467,244...13,474,079 		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 7:127,561,777...127,588,762
Ensembl chr 7:125,682,488...125,717,837 		JBrowse link
G Nfe2l2 NFE2 like bZIP transcription factor 2 increases expression EXP iberin results in increased expression of NFE2L2 protein CTD PMID:22664424 NCBI chr 3:81,001,529...81,031,165
Ensembl chr 3:60,594,242...60,621,737 		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 chr19:52,205,374...52,220,267
Ensembl chr19:35,295,573...35,310,557 		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 7:22,717,620...22,802,553
Ensembl chr 7:20,830,045...20,907,863 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19887
    role 19858
      biological role 19856
        inhibitor 18945
          quorum sensing inhibitor 85
            iberin 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    p-block element atom 19824
                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organosulfur compound 17498
                                  sulfoxide 6530
                                    iberin 10
paths to the root