cyclo[DL-Ala-DL-Ala-DL-Trp-DL-xiIle-DL-Pro-DL-Pro-Gly]
| Internal ID | d7221d6b-732e-4838-9501-1354f8342fef |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 9-butan-2-yl-12-(1H-indol-3-ylmethyl)-15,18-dimethyl-1,7,10,13,16,19,22-heptazatricyclo[22.3.0.03,7]heptacosane-2,8,11,14,17,20,23-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H48N8O7/c1-5-19(2)29-35(50)43-15-9-13-27(43)34(49)42-14-8-12-26(42)33(48)37-18-28(44)38-20(3)30(45)39-21(4)31(46)40-25(32(47)41-29)16-22-17-36-24-11-7-6-10-23(22)24/h6-7,10-11,17,19-21,25-27,29,36H,5,8-9,12-16,18H2,1-4H3,(H,37,48)(H,38,44)(H,39,45)(H,40,46)(H,41,47) |
| InChI Key | MGVKXKSMRFXMCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H48N8O7 |
| Molecular Weight | 692.80 g/mol |
| Exact Mass | 692.36459590 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-DL-Ala-DL-Trp-DL-xiIle-DL-Pro-DL-Pro-Gly]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ala-dl-ala-dl-trp-dl-xiile-dl-pro-dl-pro-gly.jpg "2D Structure of cyclo[DL-Ala-DL-Ala-DL-Trp-DL-xiIle-DL-Pro-DL-Pro-Gly]")
| 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 | 99.55% | 98.95% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 99.22% | 96.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.37% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.59% | 97.64% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 95.51% | 92.12% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.74% | 88.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.41% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.26% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.20% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.81% | 92.97% |
| CHEMBL228 | P31645 | Serotonin transporter | 92.86% | 95.51% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 92.44% | 90.71% |
| CHEMBL240 | Q12809 | HERG | 91.87% | 89.76% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.92% | 98.59% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.86% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.78% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.44% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.05% | 97.05% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 89.78% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.72% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.59% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.36% | 93.03% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 88.18% | 91.43% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.02% | 83.10% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 87.91% | 96.69% |
| CHEMBL4071 | P08311 | Cathepsin G | 87.82% | 94.64% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 87.11% | 97.50% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.10% | 91.76% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.03% | 94.66% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.61% | 98.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.68% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.41% | 93.99% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.15% | 95.83% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.08% | 97.79% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.78% | 92.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.62% | 99.23% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.80% | 82.38% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.58% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.16% | 97.14% |
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.
| Annona cherimola |
| PubChem | 72754728 |
| LOTUS | LTS0213929 |
| wikiData | Q105163606 |