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: isopropyl salicylate
Accession: CHEBI:38703
browse the term
Definition: A benzoate ester that is the isopropyl ester of salicylic acid.
Synonyms: exact_synonym: propan-2-yl 2-hydroxybenzoate
related_synonym: 1-methylethyl 2-hydroxybenzoate; Formula=C10H12O3; InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3; InChIKey=YEULQIJMIOWCHB-UHFFFAOYSA-N; Iso-propyl salicylate; Isopropyl o-hydroxybenzoate; SMILES=CC(C)OC(=O)c1ccccc1O; Salicylic acid, isopropyl ester
xref: Beilstein:2615569; CAS:607-85-2; PMID:1650428; PMID:19996699; Reaxys:2615569
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Ache
acetylcholinesterase
decreases activity
ISO EXP
isocarbophos metabolite results in decreased activity of ACHE protein isocarbophos results in decreased activity of ACHE protein
CTD
PMID:24752505 PMID:26818681 PMID:33844597
NCBI chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651
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Bax
BCL2 associated X, apoptosis regulator
increases expression
ISO
isocarbophos analog results in increased expression of BAX protein
CTD
PMID:20688129
NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
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Bcl2
BCL2, apoptosis regulator
decreases expression
ISO
isocarbophos analog results in decreased expression of BCL2 protein
CTD
PMID:20688129
NCBI chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743 Ensembl chr13:22,684,989...22,853,743
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Casp3
caspase 3
increases cleavage
EXP
isocarbophos results in increased cleavage of CASP3 protein
CTD
PMID:26818681
NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
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Cyp1a2
cytochrome P450, family 1, subfamily a, polypeptide 2
multiple interactions
ISO
CYP1A2 protein results in increased metabolism of and results in decreased sulfation of and affects the activity of isocarbophos
CTD
PMID:24752505
NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
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Cyp2c6
cytochrome P450, family 2, subfamily C, polypeptide 6
multiple interactions
ISO
CYP2C19 protein results in increased metabolism of and results in decreased sulfation of and affects the activity of isocarbophos
CTD
PMID:24752505
NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596
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Cyp2d4
cytochrome P450, family 2, subfamily d, polypeptide 4
multiple interactions
ISO
CYP2D6 protein results in increased metabolism of and results in decreased sulfation of and affects the activity of isocarbophos
CTD
PMID:24752505
NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
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Cyp3a2
cytochrome P450, family 3, subfamily a, polypeptide 2
multiple interactions
ISO
CYP3A4 protein results in increased metabolism of and results in decreased sulfation of and affects the activity of isocarbophos
CTD
PMID:24752505
NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008
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Gja1
gap junction protein, alpha 1
increases expression
EXP
isocarbophos results in increased expression of GJA1 protein
CTD
PMID:26818681
NCBI chr20:35,756,007...35,768,481
Ensembl chr20:35,755,991...35,768,582
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Icam1
intercellular adhesion molecule 1
increases expression
EXP
isocarbophos results in increased expression of ICAM1 protein
CTD
PMID:26818681
NCBI chr 8:19,553,063...19,565,438
Ensembl chr 8:19,553,645...19,565,438
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Mapk1
mitogen activated protein kinase 1
increases phosphorylation multiple interactions
ISO
isocarbophos analog results in increased phosphorylation of MAPK1 protein manganese(III)-tetrakis(4-benzoic acid)porphyrin inhibits the reaction [isocarbophos analog results in increased phosphorylation of MAPK1 protein]
CTD
PMID:20688129
NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
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Mapk3
mitogen activated protein kinase 3
increases phosphorylation multiple interactions
ISO
isocarbophos analog results in increased phosphorylation of MAPK3 protein manganese(III)-tetrakis(4-benzoic acid)porphyrin inhibits the reaction [isocarbophos analog results in increased phosphorylation of MAPK3 protein]
CTD
PMID:20688129
NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
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Tp53
tumor protein p53
affects activity
ISO
isocarbophos affects the activity of TP53 protein; isocarbophos metabolite affects the activity of TP53 protein
CTD
PMID:35435491
NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524
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Vcam1
vascular cell adhesion molecule 1
increases expression
EXP
isocarbophos results in increased expression of VCAM1 protein
CTD
PMID:26818681
NCBI chr 2:204,038,120...204,057,852
Ensembl chr 2:204,038,114...204,057,958
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Ar
androgen receptor
multiple interactions
ISO
Dihydrotestosterone inhibits the reaction [isofenphos results in increased activity of AR protein]
CTD
PMID:15064155
NCBI chr X:63,104,771...63,273,934
Ensembl chr X:63,104,771...63,273,925
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Cyp3a2
cytochrome P450, family 3, subfamily a, polypeptide 2
increases expression
ISO
isofenphos results in increased expression of CYP3A4 mRNA
CTD
PMID:17293382
NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008
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Esr1
estrogen receptor 1
increases activity
ISO
isofenphos results in increased activity of ESR1 protein
CTD
PMID:15064155
NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
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Nr1i2
nuclear receptor subfamily 1, group I, member 2
multiple interactions
ISO
isofenphos binds to and results in increased activity of NR1I2 protein; isofenphos metabolite binds to and results in increased activity of NR1I2 protein
CTD
PMID:21115097
NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
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Nr1i3
nuclear receptor subfamily 1, group I, member 3
increases activity
ISO
isofenphos results in increased activity of NR1I3 protein
CTD
PMID:28927721
NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
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Tp53
tumor protein p53
affects activity
ISO
isofenphos metabolite affects the activity of TP53 protein
CTD
PMID:35435491
NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524
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