Phenopicolinic acid

Details

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Internal ID 2c7ed1e3-d987-4e25-9a69-cf57d269f307
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridine-2-carboxylic acids > 5-alkyl-2-carboxypyrimidines
IUPAC Name 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17)
InChI Key SJBFZHNCSGBLEK-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C13H11NO3
Molecular Weight 229.23 g/mol
Exact Mass 229.07389321 g/mol
Topological Polar Surface Area (TPSA) 70.40 Ų
XlogP 2.30

Synonyms

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5-(4-Hydroxybenzyl)picolinic acid
56153-30-1
2-Pyridinecarboxylic acid, 5-((4-hydroxyphenyl)methyl)-
BQT8GD5527
CHEMBL4764135
5-((4-Hydroxyphenyl)methyl)-2-pyridinecarboxylic acid
5-[(4-Hydroxyphenyl)methyl]-2-pyridinecarboxylic acid
2-Pyridinecarboxylic acid, 5-[(4-hydroxyphenyl)methyl]-
BRN 0478935
UNII-BQT8GD5527
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Phenopicolinic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.47% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.06% 94.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.91% 95.50%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 86.56% 93.10%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.46% 99.17%
CHEMBL1811 P34995 Prostanoid EP1 receptor 86.43% 95.71%
CHEMBL2535 P11166 Glucose transporter 81.82% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.70% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.79% 95.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 3043792
LOTUS LTS0072694
wikiData Q7181395