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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:benzyl isothiocyanate
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Accession:CHEBI:17484 term browser browse the term
Definition:An isothiocyanate that has formula C8H7NS.
Synonyms:exact_synonym: (isothiocyanatomethyl)benzene
 related_synonym: Benzylsenfoel;   Formula=C8H7NS;   InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2;   InChIKey=MDKCFLQDBWCQCV-UHFFFAOYSA-N;   Isothiocyanic acid, benzyl ester;   SMILES=S=C=NCc1ccccc1;   alpha-isothiocyanatotoluene
 alt_id: CHEBI:13889;   CHEBI:22745;   CHEBI:3054
 xref: Beilstein:386135;   CAS:622-78-6;   KEGG:C03098;   KNApSAcK:C00007675
 xref_mesh: MESH:C031403


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benzyl isothiocyanate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 increases phosphorylation ISO benzyl isothiocyanate results in increased phosphorylation of AKT1 protein CTD PMID:31587482 NCBI chr 6:137,218,398...137,239,970
Ensembl chr 6:137,218,376...137,236,258
JBrowse link
G Aldh1a1 aldehyde dehydrogenase 1 family, member A1 increases expression
multiple interactions
ISO benzyl isothiocyanate results in increased expression of ALDH1A1 mRNA; benzyl isothiocyanate results in increased expression of ALDH1A1 protein
NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH1A1 mRNA]
CTD PMID:28821405 NCBI chr 1:238,222,689...238,264,381
Ensembl chr 1:238,222,521...238,264,330
JBrowse link
G Aldh2 aldehyde dehydrogenase 2 family member multiple interactions
increases expression
ISO NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH2 mRNA]
benzyl isothiocyanate results in increased expression of ALDH2 mRNA; benzyl isothiocyanate results in increased expression of ALDH2 protein
CTD PMID:28821405 NCBI chr12:40,466,418...40,498,813
Ensembl chr12:40,466,495...40,498,752
JBrowse link
G Aldh3a1 aldehyde dehydrogenase 3 family, member A1 increases response to substance
multiple interactions
increases expression
ISO ALDH3A1 protein results in increased susceptibility to benzyl isothiocyanate
NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH3A1 mRNA]
benzyl isothiocyanate results in increased expression of ALDH3A1 mRNA; benzyl isothiocyanate results in increased expression of ALDH3A1 protein
CTD PMID:28821405 NCBI chr10:47,490,168...47,499,855
Ensembl chr10:47,490,153...47,499,876
JBrowse link
G Cat catalase increases activity EXP benzyl isothiocyanate 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 Cdkn1a cyclin-dependent kinase inhibitor 1A increases expression ISO benzyl isothiocyanate results in increased expression of CDKN1A mRNA CTD PMID:17937621 NCBI chr20:6,348,422...6,358,864
Ensembl chr20:6,351,458...6,358,864
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions
increases expression
EXP benzyl isothiocyanate results in increased activity of [CYP1A1 protein co-treated with CYP1A2 protein]
benzyl isothiocyanate results in increased expression of CYP1A1 mRNA
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 increases expression
multiple interactions
EXP benzyl isothiocyanate results in increased expression of CYP1A2 mRNA
benzyl isothiocyanate results in increased activity of [CYP1A1 protein co-treated with CYP1A2 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 activity
decreases expression
EXP benzyl isothiocyanate results in decreased activity of CYP3A2 protein
benzyl isothiocyanate results in decreased expression of CYP3A2 mRNA
CTD PMID:22664424 NCBI chr12:11,641,500...11,677,818
Ensembl chr12:11,655,402...11,733,136
JBrowse link
G Gadd45a growth arrest and DNA-damage-inducible, alpha increases expression ISO benzyl isothiocyanate results in increased expression of GADD45A mRNA CTD PMID:17937621 NCBI chr 4:97,782,512...97,784,814
Ensembl chr 4:97,782,512...97,784,842
JBrowse link
G Gsr glutathione-disulfide reductase decreases activity
increases activity
multiple interactions
ISO
EXP
benzyl isothiocyanate results in decreased activity of GSR protein
benzyl isothiocyanate results in increased activity of GSR protein
NADP affects the reaction [benzyl isothiocyanate results in decreased activity of GSR protein]
CTD PMID:17937621, 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
increases expression
ISO
EXP
benzyl isothiocyanate results in increased activity of GSTA3 promoter
benzyl isothiocyanate results in increased expression of GSTA3 protein
CTD PMID:9794803, PMID:19232536 NCBI chr 9:27,357,490...27,417,023
Ensembl chr 9:27,402,381...27,417,023
JBrowse link
G Gsta5 glutathione S-transferase alpha 5 increases expression EXP benzyl isothiocyanate results in increased expression of GSTA5 protein CTD PMID:9794803 NCBI chr 8:85,553,659...85,564,914
Ensembl chr 8:85,553,734...85,565,179
JBrowse link
G Gstm1 glutathione S-transferase mu 1 affects metabolic processing ISO GSTM1 protein affects the metabolism of benzyl isothiocyanate CTD PMID:7826396 NCBI chr 2:210,803,869...210,809,461
Ensembl chr 2:210,803,869...210,809,306
JBrowse link
G Gstm5 glutathione S-transferase, mu 5 increases expression EXP benzyl isothiocyanate results in increased expression of GSTM3 protein CTD PMID:9794803 NCBI chr 2:210,685,338...210,688,133
Ensembl chr 2:210,685,197...210,688,272
JBrowse link
G Gstp1 glutathione S-transferase pi 1 multiple interactions
increases expression
affects metabolic processing
decreases activity
ISO
EXP
benzyl isothiocyanate binds to and results in decreased activity of GSTP1 protein
benzyl isothiocyanate results in increased expression of GSTP1 protein
GSTP1 protein affects the metabolism of benzyl isothiocyanate
benzyl isothiocyanate results in decreased activity of GSTP1 protein
CTD PMID:7826396, PMID:9794803, PMID:15355982, PMID:17937621, PMID:29667773 NCBI chr 1:219,291,679...219,294,147
Ensembl chr 1:219,291,679...219,294,147
JBrowse link
G Gstt1 glutathione S-transferase theta 1 increases expression EXP benzyl isothiocyanate results in increased expression of GSTT1 protein CTD PMID:9794803 NCBI chr20:13,799,102...13,816,527
Ensembl chr20:13,799,102...13,816,526
JBrowse link
G Hmox1 heme oxygenase 1 increases activity
increases expression
EXP
ISO
benzyl isothiocyanate results in increased activity of HMOX1 protein
benzyl isothiocyanate results in increased expression of HMOX1 mRNA
benzyl isothiocyanate results in increased expression of HMOX1 mRNA; benzyl isothiocyanate results in increased expression of HMOX1 protein
CTD PMID:8612205, PMID:22664424, PMID:28821405 NCBI chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456
JBrowse link
G Il13 interleukin 13 multiple interactions ISO 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol inhibits the reaction [benzyl isothiocyanate inhibits the reaction [Hydrogen Peroxide results in increased expression of IL13 mRNA]]; benzyl isothiocyanate inhibits the reaction [Hydrogen Peroxide results in increased expression of IL13 mRNA] CTD PMID:29667773 NCBI chr10:38,982,909...38,985,466
Ensembl chr10:38,982,909...38,985,466
JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit affects localization
multiple interactions
ISO benzyl isothiocyanate affects the localization of JUN protein
benzyl isothiocyanate results in increased expression of and results in increased phosphorylation of JUN protein; Curcumin inhibits the reaction [benzyl isothiocyanate results in increased expression of and results in increased phosphorylation of JUN protein]; U 0126 inhibits the reaction [benzyl isothiocyanate results in increased expression of and results in increased phosphorylation of JUN protein]
CTD PMID:31587482 NCBI chr 5:114,011,184...114,014,277
Ensembl chr 5:114,011,189...114,014,277
JBrowse link
G Mapk1 mitogen activated protein kinase 1 increases phosphorylation
multiple interactions
ISO benzyl isothiocyanate results in increased phosphorylation of MAPK1 protein
U 0126 inhibits the reaction [benzyl isothiocyanate results in increased phosphorylation of MAPK1 protein]
CTD PMID:31587482 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
JBrowse link
G Mapk3 mitogen activated protein kinase 3 increases phosphorylation
multiple interactions
ISO benzyl isothiocyanate results in increased phosphorylation of MAPK3 protein
U 0126 inhibits the reaction [benzyl isothiocyanate results in increased phosphorylation of MAPK3 protein]
CTD PMID:31587482 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
JBrowse link
G Mapk8 mitogen-activated protein kinase 8 increases phosphorylation
multiple interactions
ISO benzyl isothiocyanate results in increased phosphorylation of MAPK8 protein
pyrazolanthrone inhibits the reaction [benzyl isothiocyanate results in increased phosphorylation of MAPK8 protein]
CTD PMID:31587482 NCBI chr16:9,620,854...9,709,342
Ensembl chr16:9,625,177...9,709,347
JBrowse link
G Mir99a microRNA 99a multiple interactions
increases expression
ISO Curcumin inhibits the reaction [benzyl isothiocyanate results in increased expression of MIR99A mRNA]; U 0126 inhibits the reaction [benzyl isothiocyanate results in increased expression of MIR99A mRNA] CTD PMID:31587482 NCBI chr11:16,052,153...16,052,233
Ensembl chr11:16,052,153...16,052,233
JBrowse link
G Mmp7 matrix metallopeptidase 7 multiple interactions ISO benzyl isothiocyanate inhibits the reaction [epigallocatechin gallate results in increased expression of MMP7 protein]; benzyl isothiocyanate inhibits the reaction [Tretinoin results in increased expression of MMP7 mRNA] CTD PMID:17928719 NCBI chr 8:5,893,253...5,900,965
Ensembl chr 8:5,893,249...5,901,049
JBrowse link
G Ndrg1 N-myc downstream regulated 1 increases expression ISO benzyl isothiocyanate results in increased expression of NDRG1 mRNA CTD PMID:17937621 NCBI chr 7:107,734,326...107,775,701
Ensembl chr 7:107,734,323...107,775,714
JBrowse link
G Nfe2l2 nuclear factor, erythroid 2-like 2 multiple interactions
increases response to substance
increases expression
affects response to substance
ISO
EXP
benzyl isothiocyanate results in increased expression of and affects the localization of NFE2L2 protein; NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH1A1 mRNA]; NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH2 mRNA]; NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH3A1 mRNA]; NFE2L2 protein promotes the reaction [sulforafan results in decreased susceptibility to benzyl isothiocyanate]
NFE2L2 protein results in increased susceptibility to benzyl isothiocyanate
benzyl isothiocyanate results in increased expression of NFE2L2 protein
[NFE2L2 affects the susceptibility to sulforafan] which affects the susceptibility to benzyl isothiocyanate
CTD PMID:19303893, PMID:20932822, PMID:22664424, PMID:28821405 NCBI chr 3:62,497,568...62,525,146
Ensembl chr 3:62,497,571...62,524,996
JBrowse link
G Nos2 nitric oxide synthase 2 multiple interactions ISO benzyl isothiocyanate inhibits the reaction [Lipopolysaccharides results in increased activity of NOS2 protein] CTD PMID:18838692 NCBI chr10:66,188,290...66,221,621
Ensembl chr10:66,189,786...66,313,190
JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 increases activity
increases expression
ISO
EXP
benzyl isothiocyanate results in increased activity of NQO1 protein
benzyl isothiocyanate results in increased expression of NQO1 mRNA
CTD PMID:18838692, PMID:22664424, PMID:28821405 NCBI chr19:38,422,210...38,437,103
Ensembl chr19:38,422,164...38,437,180
JBrowse link
G Txnrd1 thioredoxin reductase 1 decreases activity
multiple interactions
ISO benzyl isothiocyanate results in decreased activity of TXNRD1 protein
NADP affects the reaction [benzyl isothiocyanate results in decreased activity of TXNRD1 protein]
CTD PMID:17937621 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 19810
    role 19758
      biological role 19758
        antimicrobial agent 17329
          antibacterial agent 13028
            antibacterial drug 3162
              benzyl isothiocyanate 30
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            heteroorganic entity 19175
                              organochalcogen compound 18886
                                organosulfur compound 15218
                                  isothiocyanate 3453
                                    benzyl isothiocyanate 30
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.