cyclo[DL-Ala-DL-Ala-ObAla(3-sBu)-Gly-DL-Val-DL-Leu]
| Internal ID | 4cf3fe93-8150-43cf-a8fc-68b58f33f20d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 19-butan-2-yl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | CCC(C)C1CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C)C)CC(C)C)C(C)C |
| SMILES (Isomeric) | CCC(C)C1CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C)C)CC(C)C)C(C)C |
| InChI | InChI=1S/C26H45N5O7/c1-9-15(6)19-11-20(32)27-12-21(33)31-22(14(4)5)25(36)30-18(10-13(2)3)24(35)28-16(7)23(34)29-17(8)26(37)38-19/h13-19,22H,9-12H2,1-8H3,(H,27,32)(H,28,35)(H,29,34)(H,30,36)(H,31,33) |
| InChI Key | DTTRSLGOOVOLNB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H45N5O7 |
| Molecular Weight | 539.70 g/mol |
| Exact Mass | 539.33189879 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-DL-Ala-ObAla(3-sBu)-Gly-DL-Val-DL-Leu]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ala-dl-ala-obala3-sbu-gly-dl-val-dl-leu.jpg "2D Structure of cyclo[DL-Ala-DL-Ala-ObAla(3-sBu)-Gly-DL-Val-DL-Leu]")
| 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 | 98.94% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.69% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.61% | 96.09% |
| CHEMBL1949 | P62937 | Cyclophilin A | 93.00% | 98.57% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.71% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.66% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.06% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.57% | 94.66% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.53% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.70% | 91.11% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.43% | 83.10% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.32% | 86.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.07% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.79% | 97.09% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 86.47% | 99.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.80% | 96.47% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.53% | 94.80% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.17% | 88.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.16% | 94.73% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 82.77% | 96.31% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.25% | 93.99% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.98% | 96.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.17% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.92% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.59% | 93.40% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.26% | 91.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.23% | 90.71% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.02% | 97.64% |
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.
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| There are no matching plants. |
| PubChem | 162877856 |
| LOTUS | LTS0162674 |
| wikiData | Q103818701 |