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: (S)-tetraconazole
Accession: CHEBI:84001
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Definition: A 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole that is the (S)-enantiomer of tetraconazole.
Synonyms: exact_synonym: 1-[(2S)-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole
related_synonym: (-)-Tetraconazole; Formula=C13H11Cl2F4N3O; InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2/t8-/m0/s1; InChIKey=LQDARGUHUSPFNL-QMMMGPOBSA-N; SMILES=FC(F)C(F)(F)OC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl
xref: CAS:131320-42-8; Reaxys:6638562
cyclic_relationship: is_enantiomer_of CHEBI:84000
G
Ahr
aryl hydrocarbon receptor
increases activity
ISO
tetraconazole results in increased activity of AHR protein
CTD
PMID:20143881
NCBI chr 6:52,234,089...52,271,568
Ensembl chr 6:52,234,089...52,271,568
G
Cyp2c6
cytochrome P450, family 2, subfamily C, polypeptide 6
affects activity
ISO
tetraconazole affects the activity of CYP2C19 protein
CTD
PMID:23611293
NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596
G
Hif1a
hypoxia inducible factor 1 subunit alpha
increases activity
ISO
tetraconazole results in increased activity of HIF1A protein
CTD
PMID:20143881
NCBI chr 6:92,624,059...92,669,262
Ensembl chr 6:92,624,390...92,669,261
G
Il17a
interleukin 17A
multiple interactions
ISO
tetraconazole inhibits the reaction [[Tetradecanoylphorbol Acetate co-treated with Ionomycin] results in increased expression of IL17A mRNA]
CTD
PMID:22289359
NCBI chr 9:23,144,402...23,147,889
Ensembl chr 9:23,144,402...23,147,889
G
Rora
RAR-related orphan receptor A
multiple interactions
ISO
tetraconazole binds to and results in decreased activity of RORA protein
CTD
PMID:22289359
NCBI chr 8:69,301,635...70,034,741
Ensembl chr 8:69,301,733...70,025,931
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19831
chemical entity
19829
atom
19829
nonmetal atom
19767
oxygen atom
19509
oxygen molecular entity
19509
organooxygen compound
19155
ether
17277
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole
5
(S)-tetraconazole
5
tetraconazole
5
Path 2
CHEBI ontology
19831
subatomic particle
19829
composite particle
19829
hadron
19829
baryon
19829
nucleon
19829
atomic nucleus
19829
atom
19829
main group element atom
19779
p-block element atom
19779
carbon group element atom
19728
carbon atom
19724
organic molecular entity
19724
organic molecule
19677
organic cyclic compound
19490
carbocyclic compound
18582
benzenoid aromatic compound
18000
benzenes
17863
chlorobenzenes
14843
dichlorobenzene
11541
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole
5
(S)-tetraconazole
5
tetraconazole
5