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 6:57,961,423...57,998,901
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 7:110,295,599...110,300,134
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
19909
chemical entity
19907
molecular entity
19906
polyatomic entity
19857
heteroatomic molecular entity
19813
hydroxides
19384
organic hydroxy compound
18998
alcohol
15785
secondary alcohol
7771
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
19909
subatomic particle
19907
composite particle
19907
hadron
19907
baryon
19907
nucleon
19907
atomic nucleus
19907
atom
19907
main group element atom
19846
p-block element atom
19846
carbon group element atom
19784
carbon atom
19781
organic molecular entity
19781
organic molecule
19735
organic cyclic compound
19528
organic heterocyclic compound
18895
heteroarene
17170
monocyclic heteroarene
15017
azole
14514
triazoles
8438
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