Zopfiellamide B
| Internal ID | 8bbbb971-bf89-4530-aa6d-0be54cb2d26a |
| 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-methylpentanoic acid |
| SMILES (Canonical) | CCC(C)C(CC1C(=O)C(=C(C=CC2C(C=CC3C2CCCC3)C)O)C(=O)N1C)(C(=O)O)O |
| SMILES (Isomeric) | CCC(C)C(CC1C(=O)C(=C(/C=C/[C@H]2[C@H](C=C[C@@H]3[C@@H]2CCCC3)C)O)C(=O)N1C)(C(=O)O)O |
| InChI | InChI=1S/C26H37NO6/c1-5-16(3)26(33,25(31)32)14-20-23(29)22(24(30)27(20)4)21(28)13-12-18-15(2)10-11-17-8-6-7-9-19(17)18/h10-13,15-20,28,33H,5-9,14H2,1-4H3,(H,31,32)/b13-12+,22-21?/t15-,16?,17+,18-,19-,20?,26?/m0/s1 |
| InChI Key | VLOSGEBNEZBLPE-YFIMHYGWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H37NO6 |
| Molecular Weight | 459.60 g/mol |
| Exact Mass | 459.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 5.00 |
| 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 | 98.50% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.23% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.56% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.71% | 96.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.35% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.99% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.87% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.82% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.71% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.26% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.49% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.82% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.48% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.98% | 93.04% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.48% | 83.57% |
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 | 139586714 |
| LOTUS | LTS0080011 |
| wikiData | Q77512904 |