N-(1,5,5,6,6-pentachloropentadeca-1,3-diyn-7-yl)acetamide
| Internal ID | 16d022df-0722-4ad3-a106-584ee9933cdf |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | N-(1,5,5,6,6-pentachloropentadeca-1,3-diyn-7-yl)acetamide |
| SMILES (Canonical) | CCCCCCCCC(C(C(C#CC#CCl)(Cl)Cl)(Cl)Cl)NC(=O)C |
| SMILES (Isomeric) | CCCCCCCCC(C(C(C#CC#CCl)(Cl)Cl)(Cl)Cl)NC(=O)C |
| InChI | InChI=1S/C17H22Cl5NO/c1-3-4-5-6-7-8-11-15(23-14(2)24)17(21,22)16(19,20)12-9-10-13-18/h15H,3-8,11H2,1-2H3,(H,23,24) |
| InChI Key | RCRRRINWRRJFPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22Cl5NO |
| Molecular Weight | 433.60 g/mol |
| Exact Mass | 433.011453 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.38% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.53% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.05% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.48% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.15% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 92.67% | 92.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.18% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.85% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.39% | 97.25% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.10% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.95% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.83% | 91.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.47% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.20% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.30% | 97.79% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.21% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.16% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.80% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.57% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.37% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.27% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.12% | 96.95% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.37% | 95.93% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 83.26% | 92.26% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.65% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.63% | 98.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.43% | 95.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.59% | 98.59% |
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.
| There are no matching plants. |
| PubChem | 163192439 |
| LOTUS | LTS0217423 |
| wikiData | Q105233915 |