(Z)-N-methyl-14-pyridin-3-yltetradec-11-en-1-amine

Details

Top
Internal ID d890e27f-0acc-433c-a1f1-3a253b5f41bc
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives
IUPAC Name (Z)-N-methyl-14-pyridin-3-yltetradec-11-en-1-amine
SMILES (Canonical) CNCCCCCCCCCCC=CCCC1=CN=CC=C1
SMILES (Isomeric) CNCCCCCCCCCC/C=C\CCC1=CN=CC=C1
InChI InChI=1S/C20H34N2/c1-21-17-13-11-9-7-5-3-2-4-6-8-10-12-15-20-16-14-18-22-19-20/h8,10,14,16,18-19,21H,2-7,9,11-13,15,17H2,1H3/b10-8-
InChI Key WELRDUNLNFPOBY-NTMALXAHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H34N2
Molecular Weight 302.50 g/mol
Exact Mass 302.272199093 g/mol
Topological Polar Surface Area (TPSA) 24.90 Ų
XlogP 5.90

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (Z)-N-methyl-14-pyridin-3-yltetradec-11-en-1-amine

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 95.11% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.93% 96.09%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.79% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.69% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.49% 94.45%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 90.97% 85.30%
CHEMBL3401 O75469 Pregnane X receptor 89.83% 94.73%
CHEMBL255 P29275 Adenosine A2b receptor 89.44% 98.59%
CHEMBL2996 Q05655 Protein kinase C delta 87.34% 97.79%
CHEMBL308 P06493 Cyclin-dependent kinase 1 86.28% 91.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.21% 90.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.04% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.27% 91.11%
CHEMBL1781 P11387 DNA topoisomerase I 82.46% 97.00%
CHEMBL3038469 P24941 CDK2/Cyclin A 81.73% 91.38%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 81.45% 92.95%
CHEMBL3902 P09211 Glutathione S-transferase Pi 81.35% 93.81%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 80.33% 88.00%

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.
Rauvolfia sprucei

Cross-Links

Top
PubChem 9904513
LOTUS LTS0125661
wikiData Q104986193