N-(2-Phenylethyl)non-2(E)-en-6,8-diynamide
Internal ID | ac04306b-b730-406f-b9c3-e9770d763330 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
IUPAC Name | (E)-N-(2-phenylethyl)non-2-en-6,8-diynamide |
SMILES (Canonical) | C#CC#CCCC=CC(=O)NCCC1=CC=CC=C1 |
SMILES (Isomeric) | C#CC#CCC/C=C/C(=O)NCCC1=CC=CC=C1 |
InChI | InChI=1S/C17H17NO/c1-2-3-4-5-6-10-13-17(19)18-15-14-16-11-8-7-9-12-16/h1,7-13H,5-6,14-15H2,(H,18,19)/b13-10+ |
InChI Key | NXJSNVBJQUBKHB-JLHYYAGUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H17NO |
Molecular Weight | 251.32 g/mol |
Exact Mass | 251.131014166 g/mol |
Topological Polar Surface Area (TPSA) | 29.10 Ų |
XlogP | 3.20 |
NXJSNVBJQUBKHB-JLHYYAGUSA-N |
N-(2-Phenylethyl)nona-2(E)-ene-6,8-diynamide |
(2E)-N-(2-Phenylethyl)-2-nonene-6,8-diynamide # |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
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 |
---|---|---|---|---|
CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.63% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 92.06% | 92.51% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.05% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.67% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.33% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.50% | 86.33% |
CHEMBL5028 | O14672 | ADAM10 | 85.75% | 97.50% |
CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 84.02% | 96.67% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.71% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.27% | 96.00% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 81.22% | 90.20% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.99% | 95.56% |
CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.31% | 93.81% |
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.
To see more specific details click the taxa you are interested in.
Acmella ciliata |
PubChem | 5371825 |
LOTUS | LTS0207955 |
wikiData | Q105187219 |