12-Pyridin-3-yldodeca-4,6,8-trien-2-ol

Details

Top
Internal ID 2b9ef617-3427-48b7-a751-dab739b4cfb6
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives
IUPAC Name 12-pyridin-3-yldodeca-4,6,8-trien-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2-6,8,10,13-16,19H,7,9,11-12H2,1H3
InChI Key WLKFATVYMPQACQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H23NO
Molecular Weight 257.37 g/mol
Exact Mass 257.177964357 g/mol
Topological Polar Surface Area (TPSA) 33.10 Ų
XlogP 3.90

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 12-Pyridin-3-yldodeca-4,6,8-trien-2-ol

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL2581 P07339 Cathepsin D 96.93% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.78% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.39% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 90.91% 94.73%
CHEMBL226 P30542 Adenosine A1 receptor 89.52% 95.93%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.24% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.85% 86.33%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.82% 90.24%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.24% 89.34%
CHEMBL2885 P07451 Carbonic anhydrase III 82.19% 87.45%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 81.70% 92.88%
CHEMBL3902 P09211 Glutathione S-transferase Pi 81.62% 93.81%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 73831927
LOTUS LTS0069722
wikiData Q105308019