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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:related_synonym: (isothiocyanatomethyl)benzene;   Benzylsenfoel;   Isothiocyanic acid, benzyl ester;   alpha-isothiocyanatotoluene
 alt_id: CHEBI:13889;   CHEBI:22745;   CHEBI:3054
 xref: Beilstein:386135;   CAS:622-78-6;   KNApSAcK:C00007675
 xref_mesh: MESH:C031403
 xref: kegg.compound:C03098
 chemrof_formula: C8H7NS
 chemrof_inchi: InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
 chemrof_inchikey: MDKCFLQDBWCQCV-UHFFFAOYSA-N
 chemrof_smiles: S=C=NCc1ccccc1


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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 6:137,534,810...137,555,131
Ensembl chr 6:137,535,390...137,552,610 		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 1:227,426,939...227,579,497
Ensembl chr 1:227,427,070...227,579,500 		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 chr12:40,610,244...40,643,220
Ensembl chr12:40,610,224...40,643,219 		JBrowse link
G Aldh3a1 aldehyde dehydrogenase 3 family, member A1 increases response to substance
increases expression
multiple interactions 		ISO ALDH3A1 protein results in increased susceptibility to benzyl isothiocyanate
benzyl isothiocyanate results in increased expression of ALDH3A1 mRNA; benzyl isothiocyanate results in increased expression of ALDH3A1 protein
NFE2L2 protein promotes the reaction [benzyl isothiocyanate results in increased expression of ALDH3A1 mRNA] 		CTD PMID:28821405 NCBI chr10:46,392,464...46,402,151
Ensembl chr10:46,392,411...46,402,151 		JBrowse link
G Casp3 caspase 3 multiple interactions
increases expression
affects cleavage 		ISO benzyl isothiocyanate results in increased activity of and results in increased cleavage of CASP3 protein; verlukast promotes the reaction [benzyl isothiocyanate results in increased activity of and results in increased cleavage of CASP3 protein]
benzyl isothiocyanate metabolite results in increased expression of CASP3 protein modified form
benzyl isothiocyanate affects the cleavage of CASP3 protein; benzyl isothiocyanate metabolite affects the cleavage of CASP3 protein 		CTD PMID:33880814 PMID:35920443 NCBI chr16:52,395,539...52,413,794
Ensembl chr16:52,395,540...52,413,732 		JBrowse link
G Cat catalase increases activity EXP benzyl isothiocyanate results in increased activity of CAT protein CTD PMID:22664424 NCBI chr 3:110,297,340...110,329,526
Ensembl chr 3:110,297,342...110,329,526 		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 chr20:7,150,820...7,161,373
Ensembl chr20:7,153,958...7,164,969 		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 8:66,991,940...66,998,014
Ensembl chr 8:66,991,970...66,998,012 		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 8:66,971,261...66,978,149
Ensembl chr 8:66,971,261...66,978,149 		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 chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857 		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 4:97,484,497...97,486,799
Ensembl chr 4:97,484,502...97,486,807 		JBrowse link
G Gsr glutathione-disulfide reductase decreases activity
multiple interactions
increases activity 		ISO
EXP 		benzyl isothiocyanate results in decreased activity of GSR protein
NADP affects the reaction [benzyl isothiocyanate results in decreased activity of GSR protein]
benzyl isothiocyanate results in increased activity of GSR protein 		CTD PMID:17937621 PMID:22664424 NCBI chr16:65,185,574...65,228,742
Ensembl chr16:65,185,574...65,228,394 		JBrowse link
G Gsta3 glutathione S-transferase alpha 3 increases expression EXP benzyl isothiocyanate results in increased expression of GSTA3 protein CTD PMID:9794803 NCBI chr 9:31,154,989...31,180,653
Ensembl chr 9:31,154,989...31,180,654 		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 8:87,985,768...87,997,766
Ensembl chr 8:87,985,258...87,997,765 		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 2:198,338,005...198,346,007
Ensembl chr 2:198,338,008...198,343,569 		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 2:198,219,769...198,222,732
Ensembl chr 2:198,219,647...198,222,731 		JBrowse link
G Gstp1 glutathione S-transferase pi 1 multiple interactions
decreases activity
affects metabolic processing
increases expression 		ISO
EXP 		benzyl isothiocyanate binds to and results in decreased activity of GSTP1 protein
benzyl isothiocyanate results in decreased activity of GSTP1 protein
GSTP1 protein affects the metabolism of benzyl isothiocyanate
benzyl isothiocyanate results in increased expression of GSTP1 protein 		CTD PMID:7826396 PMID:9794803 PMID:15355982 PMID:17937621 PMID:29667773 NCBI chr 1:210,767,237...210,770,242
Ensembl chr 1:210,767,237...210,769,705 		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 chr20:12,856,068...12,873,020
Ensembl chr20:12,856,083...12,873,019 		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 protein 		CTD PMID:8612205 PMID:22664424 PMID:28821405 NCBI chr19:13,452,365...13,479,823
Ensembl chr19:13,472,884...13,479,818 		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 chr10:38,290,926...38,293,483
Ensembl chr10:38,290,926...38,293,483 		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 5:115,009,900...115,012,993
Ensembl chr 5:114,973,151...115,013,285 		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]; verlukast promotes the reaction [benzyl isothiocyanate results in increased phosphorylation of MAPK1 protein] 		CTD PMID:31587482 PMID:33880814 NCBI chr11:97,462,025...97,529,193
Ensembl chr11:97,462,025...97,527,825 		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]; verlukast promotes the reaction [benzyl isothiocyanate results in increased phosphorylation of MAPK3 protein] 		CTD PMID:31587482 PMID:33880814 NCBI chr 1:190,797,189...190,803,411
Ensembl chr 1:190,797,185...190,803,411 		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 chr16:8,645,171...8,728,225
Ensembl chr16:8,645,198...8,728,427 		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 chr11:29,687,392...29,687,472
Ensembl chr11:29,687,392...29,687,472 		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 8:13,133,043...13,140,761
Ensembl chr 8:13,133,043...13,140,755 		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 7:100,573,526...100,614,902
Ensembl chr 7:100,573,523...100,614,913 		JBrowse link
G Nfatc1 nuclear factor of activated T-cells 1 multiple interactions ISO benzyl isothiocyanate inhibits the reaction [TNFSF11 protein results in increased expression of NFATC1 mRNA] CTD PMID:35920443 NCBI chr18:76,321,386...76,430,997
Ensembl chr18:76,321,386...76,430,990 		JBrowse link
G Nfe2l2 NFE2 like bZIP transcription factor 2 multiple interactions
affects response to substance
increases expression
increases 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 [sulforaphane results in decreased susceptibility to benzyl isothiocyanate]
[NFE2L2 affects the susceptibility to sulforaphane] which affects the susceptibility to benzyl isothiocyanate
benzyl isothiocyanate results in increased expression of NFE2L2 protein
NFE2L2 protein results in increased susceptibility to benzyl isothiocyanate 		CTD PMID:19303893 PMID:20932822 PMID:22664424 PMID:28821405 NCBI chr 3:81,001,529...81,031,165
Ensembl chr 3:81,001,529...81,029,090 		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 chr10:64,313,335...64,349,221
Ensembl chr10:64,313,335...64,401,880 		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 chr19:52,205,374...52,220,267
Ensembl chr19:52,205,314...52,220,260 		JBrowse link
G Tnfsf11 TNF superfamily member 11 multiple interactions ISO benzyl isothiocyanate inhibits the reaction [TNFSF11 protein results in increased expression of NFATC1 mRNA] CTD PMID:35920443 NCBI chr15:60,083,008...60,114,479
Ensembl chr15:60,083,008...60,114,479 		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 7:22,717,620...22,802,553
Ensembl chr 7:22,719,317...22,739,817 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        antimicrobial agent 18216
          antibacterial agent 15366
            antibacterial drug 7524
              benzyl isothiocyanate 33
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                carbocyclic compound 18739
                                  benzenoid aromatic compound 17899
                                    benzenes 17656
                                      benzyl isothiocyanate 33
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