4-Phenyl-3-pyridin-2-ylbut-2-en-1-ol

Details

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Internal ID c6dc16f4-cc13-4ddf-bf4e-1e4ad1fcc91e
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives
IUPAC Name 4-phenyl-3-pyridin-2-ylbut-2-en-1-ol
SMILES (Canonical) C1=CC=C(C=C1)CC(=CCO)C2=CC=CC=N2
SMILES (Isomeric) C1=CC=C(C=C1)CC(=CCO)C2=CC=CC=N2
InChI InChI=1S/C15H15NO/c17-11-9-14(15-8-4-5-10-16-15)12-13-6-2-1-3-7-13/h1-10,17H,11-12H2
InChI Key UTVNYKLBXWXEQP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H15NO
Molecular Weight 225.28 g/mol
Exact Mass 225.115364102 g/mol
Topological Polar Surface Area (TPSA) 33.10 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Phenyl-3-pyridin-2-ylbut-2-en-1-ol

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
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 95.49% 94.62%
CHEMBL221 P23219 Cyclooxygenase-1 92.35% 90.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.48% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.86% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 87.56% 94.73%
CHEMBL2581 P07339 Cathepsin D 86.73% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.69% 91.11%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 82.85% 88.00%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.09% 93.81%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 81.30% 89.44%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.88% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.77% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana

Cross-Links

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PubChem 140728338
LOTUS LTS0239363
wikiData Q105162201