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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Definition:An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group.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 3:89,842,393...89,874,577
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 8:58,096,021...58,102,130
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 8:58,075,367...58,082,255
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 chr12:9,207,986...9,230,038
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 chr16:58,482,209...58,525,256
Ensembl chr16:58,482,505...58,525,661
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 9:23,658,574...23,684,240
Ensembl chr 9:23,658,574...23,684,240
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 chr19:13,466,287...13,474,082
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 7:125,682,502...125,708,294
Ensembl chr 7:125,682,488...125,717,837
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 3:60,594,239...60,621,785
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 chr19:35,295,633...35,310,528
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 7:20,830,042...20,914,990
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 19812
    role 19761
      biological role 19761
        inhibitor 18584
          quorum sensing inhibitor 72
            iberin 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            heteroorganic entity 19283
                              organochalcogen compound 19054
                                organosulfur compound 15272
                                  sulfoxide 3780
                                    iberin 11
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