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: 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
Accession: CHEBI:139343
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Definition: A member of the class of triazoles that is 2,2-dimethylpentane that is substituted at positions 2, 3, and 5 by hydroxy, 1,2,4-triazol-1-yl, and p-chlorophenyl groups, respectively.
Synonyms: related_synonym: Formula=C15H20ClN3O; InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3; InChIKey=RMOGWMIKYWRTKW-UHFFFAOYSA-N; SMILES=C(C(C(C(C)(C)C)O)N1N=CN=C1)C2=CC=C(C=C2)Cl
xref: PPDB:504
G
Ahr
aryl hydrocarbon receptor
multiple interactions
ISO
paclobutrazol binds to and results in increased activity of AHR protein
CTD
PMID:14636698
NCBI chr 6:52,234,089...52,271,568
Ensembl chr 6:52,234,089...52,271,568
G
Gpt
glutamic--pyruvic transaminase
increases activity
EXP
paclobutrazol results in increased activity of GPT protein
CTD
PMID:35298131
NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19874
chemical entity
19872
molecular entity
19872
polyatomic entity
19824
heteroatomic molecular entity
19781
hydroxides
19341
organic hydroxy compound
18951
alcohol
15716
secondary alcohol
7756
1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
2
(R,R)-paclobutrazol +
2
(S,S)-paclobutrazol +
2
Path 2
CHEBI ontology
19874
subatomic particle
19872
composite particle
19872
hadron
19872
baryon
19872
nucleon
19872
atomic nucleus
19872
atom
19872
main group element atom
19811
p-block element atom
19811
carbon group element atom
19751
carbon atom
19748
organic molecular entity
19748
organic molecule
19700
organic cyclic compound
19490
organic heterocyclic compound
18868
heteroarene
17151
monocyclic heteroarene
14980
azole
14503
triazoles
8421
1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
2
(R,R)-paclobutrazol +
2
(S,S)-paclobutrazol +
2