cyclo[D-Ala-Val-D-Asn-Tyr-ObAla(3S-isooctyl)-D-Phe-Pro]
| Internal ID | 8cad0bf3-5435-4273-8a3f-8c2fb6844ab0 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[(3R,7S,10S,13R,16S,19R,22S)-3-benzyl-10-[(4-hydroxyphenyl)methyl]-19-methyl-7-(6-methylheptyl)-2,5,9,12,15,18,21-heptaoxo-16-propan-2-yl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-13-yl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,33+,34-,35-,36+,37+,40+/m1/s1 |
| InChI Key | LJNDDJVXTIZTOA-UKKXCWDZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H65N7O10 |
| Molecular Weight | 876.00 g/mol |
| Exact Mass | 875.47929130 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of cyclo[D-Ala-Val-D-Asn-Tyr-ObAla(3S-isooctyl)-D-Phe-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclod-ala-val-d-asn-tyr-obala3s-isooctyl-d-phe-pro.jpg "2D Structure of cyclo[D-Ala-Val-D-Asn-Tyr-ObAla(3S-isooctyl)-D-Phe-Pro]")
| 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 | 99.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.81% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.76% | 85.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 96.89% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.79% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.36% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.87% | 91.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.90% | 92.97% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 94.51% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.27% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.23% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.60% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.11% | 91.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.88% | 90.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.41% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.17% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.77% | 86.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.62% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.48% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.13% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.95% | 95.89% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 84.74% | 95.48% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.27% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.60% | 88.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.60% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.80% | 93.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.63% | 97.05% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 71578353 |
| LOTUS | LTS0022668 |
| wikiData | Q105152675 |