Pactamide F
| Internal ID | 56b5e712-d688-45e3-96ec-1690984d2928 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids |
| IUPAC Name | (3E,5R,8S,9S,10S,11S,13R,15S,16R,18Z,25S)-10-(chloromethyl)-11-ethyl-2,10-dihydroxy-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-20,27,28-trione |
| SMILES (Canonical) | CCC1CC2CC3C(C2C1(CCl)O)CCC4C3CC=CC(=O)NCCCC5C(=O)C(=C(C=C4)O)C(=O)N5 |
| SMILES (Isomeric) | CC[C@H]1C[C@H]2C[C@@H]3[C@@H]([C@H]2[C@@]1(CCl)O)CC[C@H]\4[C@H]3C/C=C\C(=O)NCCC[C@H]5C(=O)C(=C(/C=C4)O)C(=O)N5 |
| InChI | InChI=1S/C29H39ClN2O5/c1-2-18-13-17-14-21-19-5-3-7-24(34)31-12-4-6-22-27(35)25(28(36)32-22)23(33)11-9-16(19)8-10-20(21)26(17)29(18,37)15-30/h3,7,9,11,16-22,26,33,37H,2,4-6,8,10,12-15H2,1H3,(H,31,34)(H,32,36)/b7-3-,11-9+,25-23?/t16-,17+,18+,19-,20+,21+,22+,26+,29+/m1/s1 |
| InChI Key | BRNQMLSKMSMSQY-QLIRVBKLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H39ClN2O5 |
| Molecular Weight | 531.10 g/mol |
| Exact Mass | 530.2547500 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.05% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.20% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.32% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.64% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.16% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.47% | 93.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.42% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.03% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.62% | 82.69% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.21% | 98.59% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.19% | 92.88% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.70% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.17% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.88% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.31% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.25% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.22% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.93% | 96.77% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.20% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.14% | 89.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.43% | 99.29% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.90% | 91.07% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 80.65% | 97.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.55% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.48% | 97.79% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.23% | 96.90% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.00% | 96.00% |
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 | 146684580 |
| LOTUS | LTS0048799 |
| wikiData | Q104944931 |