Trenudine
| Internal ID | baee12a9-d9c8-48de-a1cc-283204781fad |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (1S,2S,4S,5R,6S,10S,11R,12E,14E)-20-chloro-10,24,25-trihydroxy-11,16,19-trimethoxy-2,5,15,25,28-pentamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.16,10.117,21.02,4]tetratriaconta-12,14,17(33),18,20-pentaene-8,26,29,32-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H48ClN3O13/c1-17-10-9-11-25(49-7)36(47)15-23(51-33(45)39-36)18(2)30-35(5,53-30)26-14-27(42)40(21-12-20(29(17)50-8)13-22(48-6)28(21)37)16-24(41)34(4,46)32(44)38-19(3)31(43)52-26/h9-13,18-19,23-26,29-30,41,46-47H,14-16H2,1-8H3,(H,38,44)(H,39,45)/b11-9+,17-10+/t18-,19?,23+,24?,25-,26+,29?,30+,34?,35+,36+/m1/s1 |
| InChI Key | SEGCAWMBEYYQNG-ASTJGFRCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H48ClN3O13 |
| Molecular Weight | 766.20 g/mol |
| Exact Mass | 765.2875663 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 0.90 |
| CHEMBL502969 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.34% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.03% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.11% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.07% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.60% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.79% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.27% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.76% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.18% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.42% | 92.98% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.41% | 96.90% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.44% | 100.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.82% | 97.31% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.07% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.81% | 89.05% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.83% | 96.21% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.23% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.30% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.56% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.00% | 96.43% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.83% | 93.40% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.28% | 91.19% |
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.
| Mallotus nudiflorus |
| PubChem | 44559314 |
| LOTUS | LTS0188223 |
| wikiData | Q104397384 |