cyclo[DL-Asn-DL-xiIle-DL-Pro-DL-Pro-DL-Trp-DL-His-Gly-DL-Val]
| Internal ID | 22d54c6b-3bdb-4434-a17c-99e4e3b1aed0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 2-[9-butan-2-yl-21-(1H-imidazol-5-ylmethyl)-24-(1H-indol-3-ylmethyl)-2,8,11,14,17,20,23,26-octaoxo-15-propan-2-yl-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-12-yl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H60N12O9/c1-5-24(4)37-44(65)56-15-9-13-33(56)43(64)55-14-8-12-32(55)41(62)51-29(16-25-19-47-28-11-7-6-10-27(25)28)39(60)50-30(17-26-20-46-22-49-26)38(59)48-21-35(58)53-36(23(2)3)42(63)52-31(18-34(45)57)40(61)54-37/h6-7,10-11,19-20,22-24,29-33,36-37,47H,5,8-9,12-18,21H2,1-4H3,(H2,45,57)(H,46,49)(H,48,59)(H,50,60)(H,51,62)(H,52,63)(H,53,58)(H,54,61) |
| InChI Key | RXDUUZAJNVJIAD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H60N12O9 |
| Molecular Weight | 901.00 g/mol |
| Exact Mass | 900.46062154 g/mol |
| Topological Polar Surface Area (TPSA) | 303.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Asn-DL-xiIle-DL-Pro-DL-Pro-DL-Trp-DL-His-Gly-DL-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asn-dl-xiile-dl-pro-dl-pro-dl-trp-dl-his-gly-dl-val.jpg "2D Structure of cyclo[DL-Asn-DL-xiIle-DL-Pro-DL-Pro-DL-Trp-DL-His-Gly-DL-Val]")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.67% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.59% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.69% | 96.31% |
| CHEMBL4071 | P08311 | Cathepsin G | 95.76% | 94.64% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.75% | 88.56% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 95.69% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.65% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.13% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.26% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 93.61% | 93.03% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.48% | 98.59% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.45% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 92.84% | 99.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.71% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.64% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.91% | 83.10% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 89.86% | 96.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.74% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.69% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.90% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.84% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.80% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.67% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.17% | 99.18% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.14% | 96.90% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.78% | 91.81% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.63% | 91.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.34% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.75% | 90.00% |
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.
| Psammosilene tunicoides |
| PubChem | 75578636 |
| LOTUS | LTS0149873 |
| wikiData | Q105246954 |