cyclo[Gly-DL-Met-Gly-DL-xiIle-DL-Tyr-DL-Leu-DL-Pro]
| Internal ID | b0c98125-7625-432c-8f16-b1d51aa5a2a0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 9-butan-2-yl-6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-15-(2-methylsulfanylethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCSC)CC(C)C)CC3=CC=C(C=C3)O |
| SMILES (Isomeric) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCSC)CC(C)C)CC3=CC=C(C=C3)O |
| InChI | InChI=1S/C35H53N7O8S/c1-6-21(4)30-34(49)39-25(17-22-9-11-23(43)12-10-22)32(47)40-26(16-20(2)3)35(50)42-14-7-8-27(42)33(48)37-18-28(44)38-24(13-15-51-5)31(46)36-19-29(45)41-30/h9-12,20-21,24-27,30,43H,6-8,13-19H2,1-5H3,(H,36,46)(H,37,48)(H,38,44)(H,39,49)(H,40,47)(H,41,45) |
| InChI Key | JVEZKZLOJHVRIK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H53N7O8S |
| Molecular Weight | 731.90 g/mol |
| Exact Mass | 731.36763285 g/mol |
| Topological Polar Surface Area (TPSA) | 240.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-DL-Met-Gly-DL-xiIle-DL-Tyr-DL-Leu-DL-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-dl-met-gly-dl-xiile-dl-tyr-dl-leu-dl-pro.jpg "2D Structure of cyclo[Gly-DL-Met-Gly-DL-xiIle-DL-Tyr-DL-Leu-DL-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 | 98.52% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.70% | 90.08% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 96.94% | 96.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.16% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.07% | 85.14% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 94.81% | 99.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.58% | 82.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.46% | 95.93% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 94.34% | 90.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.68% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.31% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.49% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.26% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.97% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.63% | 97.05% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.18% | 97.64% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 89.69% | 92.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.20% | 92.97% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.00% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.90% | 93.40% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.66% | 88.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.26% | 93.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.25% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.20% | 91.71% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 85.19% | 97.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.06% | 95.62% |
| CHEMBL4071 | P08311 | Cathepsin G | 85.05% | 94.64% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.85% | 100.00% |
| CHEMBL4633 | P22001 | Voltage-gated potassium channel subunit Kv1.3 | 84.49% | 100.00% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 84.25% | 94.36% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.92% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.56% | 96.90% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.43% | 91.76% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.42% | 98.59% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.24% | 99.18% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 81.82% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.34% | 90.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 81.22% | 90.65% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.64% | 95.50% |
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 glauca |
| PubChem | 73073288 |
| LOTUS | LTS0195649 |
| wikiData | Q105135665 |