Zopfiellamide A
| Internal ID | 1758cb17-756e-4961-8cc0-500adb9699cb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Heterocyclic fatty acids |
| IUPAC Name | 2-[[4-[(E)-3-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-1-hydroxyprop-2-enylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-2-hydroxy-3-methylbutanoic acid |
| SMILES (Canonical) | CC1C=CC2CCCCC2C1C=CC(=C3C(=O)C(N(C3=O)C)CC(C(C)C)(C(=O)O)O)O |
| SMILES (Isomeric) | C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1/C=C/C(=C3C(=O)C(N(C3=O)C)CC(C(C)C)(C(=O)O)O)O |
| InChI | InChI=1S/C25H35NO6/c1-14(2)25(32,24(30)31)13-19-22(28)21(23(29)26(19)4)20(27)12-11-17-15(3)9-10-16-7-5-6-8-18(16)17/h9-12,14-19,27,32H,5-8,13H2,1-4H3,(H,30,31)/b12-11+,21-20?/t15-,16+,17-,18-,19?,25?/m0/s1 |
| InChI Key | HYGFSUQJOBSOGP-YBIQCROSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H35NO6 |
| Molecular Weight | 445.50 g/mol |
| Exact Mass | 445.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 4.60 |
| 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 | 98.34% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.89% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.53% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.64% | 93.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.22% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.51% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.14% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.42% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.97% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.37% | 93.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.99% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.71% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.19% | 89.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.57% | 93.04% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.77% | 100.00% |
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 | 139586046 |
| LOTUS | LTS0078131 |
| wikiData | Q77497740 |