CID 101960862
| Internal ID | 419fd483-0ee6-4d36-9ed1-15e61168b87e |
| Taxonomy | Organoheterocyclic compounds > Oxazinanes > Morpholines |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H80N6O8/c1-4-6-20-36-25-27-44(59-36)32-34-23-24-37-39(45(26-17-19-33(3)58-45)50-43(49-44)52(34)37)41(54)57-35(5-2)21-15-13-11-9-7-8-10-12-14-16-22-38-40(53)51(31-18-29-47)42(55)46(56,60-38)28-30-48/h6,20,33-39,42,55-56H,4-5,7-19,21-32,47-48H2,1-3H3,(H,49,50)/b20-6+/t33-,34+,35?,36+,37-,38-,39-,42-,44+,45-,46+/m0/s1 |
| InChI Key | ZAJODDZKFNNZCM-FBYPMQJJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H80N6O8 |
| Molecular Weight | 845.20 g/mol |
| Exact Mass | 844.60376353 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | 6.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.92% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.28% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.96% | 94.45% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 94.92% | 97.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.65% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 94.43% | 96.01% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 92.58% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.82% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.16% | 98.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.10% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.09% | 91.11% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.53% | 93.18% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.40% | 94.66% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.37% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.20% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.93% | 92.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.35% | 95.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.64% | 92.32% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.30% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 85.26% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.81% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.51% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.44% | 96.47% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.17% | 97.28% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.00% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.69% | 95.89% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 83.44% | 89.92% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.79% | 94.78% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.24% | 95.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.73% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.35% | 99.23% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.27% | 96.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.33% | 97.05% |
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 | 101960862 |
| LOTUS | LTS0208187 |
| wikiData | Q105369912 |