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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 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
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 1:218,000,470...218,152,962
Ensembl chr 1:218,042,127...218,152,961
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 chr12:34,949,549...34,982,527 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 chr10:45,892,993...45,902,680
Ensembl chr10:45,892,924...45,902,681
JBrowse link
G Cat catalase increases activity EXP benzyl isothiocyanate 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 Cdkn1a cyclin-dependent kinase inhibitor 1A increases expression ISO benzyl isothiocyanate results in increased expression of CDKN1A mRNA CTD PMID:17937621 NCBI chr20:7,149,177...7,159,727
Ensembl chr20:7,149,217...7,159,585
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 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 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 8:58,075,367...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 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 chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
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 4:96,154,789...96,157,091
Ensembl chr 4:96,154,789...96,157,115
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 chr16:58,482,209...58,525,256
Ensembl chr16:58,482,505...58,525,661
JBrowse link
G Gsta1 glutathione S-transferase alpha 1 increases expression EXP benzyl isothiocyanate results in increased expression of GSTA3 protein CTD PMID:9794803 NCBI chr 9:23,703,476...23,720,121
Ensembl chr 9:23,703,477...23,720,121
JBrowse link
G Gsta3 glutathione S-transferase alpha 3 increases activity ISO benzyl isothiocyanate 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 Gsta5 glutathione S-transferase alpha 5 increases expression EXP benzyl isothiocyanate results in increased expression of GSTA5 protein CTD PMID:9794803 NCBI chr 8:79,105,561...79,117,472
Ensembl chr 8:79,105,661...79,117,472
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 2:195,649,845...195,655,402
Ensembl chr 2:195,649,845...195,655,411
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 2:195,531,627...195,534,562
Ensembl chr 2:195,531,495...195,534,553
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 1:201,337,762...201,340,230
Ensembl chr 1:201,321,672...201,340,226
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 chr20:12,856,613...12,873,586
Ensembl chr20:12,856,669...12,873,585
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 chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079
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 chr10:37,790,130...37,792,687
Ensembl chr10:37,790,130...37,792,737
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 5:109,894,175...109,897,268
Ensembl chr 5:109,893,145...109,897,656
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 chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
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 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
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 chr16:8,638,897...8,721,960
Ensembl chr16:8,638,924...8,721,981
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 chr11:16,200,443...16,200,523
Ensembl chr11:16,200,443...16,200,523
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 8:4,848,186...4,855,908
Ensembl chr 8:4,848,186...4,855,902
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 7:98,684,487...98,725,869
Ensembl chr 7:98,684,487...98,725,880
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 [sulforaphane 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 sulforaphane] which affects the susceptibility to benzyl isothiocyanate
CTD PMID:19303893 PMID:20932822 PMID:22664424 PMID:28821405 NCBI chr 3:60,594,239...60,621,785
Ensembl chr 3:60,594,242...60,621,737
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 chr10:63,815,308...63,851,208
Ensembl chr10:63,815,308...63,851,210
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 chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557
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 7:20,830,042...20,914,990
Ensembl chr 7:20,830,045...20,907,863
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      biological role 19769
        antimicrobial agent 17408
          antibacterial agent 13571
            antibacterial drug 3190
              benzyl isothiocyanate 31
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            heteroorganic entity 19294
                              organochalcogen compound 19064
                                organosulfur compound 15279
                                  isothiocyanate 3464
                                    benzyl isothiocyanate 31
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