cyclo[Gly-DL-Pro-DL-Pro-DL-Pro-DL-Tyr-DL-Pro-DL-Pro-DL-Met(O)-DL-xiIle]
| Internal ID | aa9cda09-eefb-4e6a-bead-ff9bcf97412e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 34-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-31-(2-methylsulfinylethyl)-3,9,15,18,24,30,33,36,39-nonazahexacyclo[37.3.0.03,7.09,13.018,22.024,28]dotetracontane-2,8,14,17,23,29,32,35,38-nonone |
| SMILES (Canonical) | CCC(C)C1C(=O)NCC(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(C(=O)N1)CCS(=O)C)CC7=CC=C(C=C7)O |
| SMILES (Isomeric) | CCC(C)C1C(=O)NCC(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(C(=O)N1)CCS(=O)C)CC7=CC=C(C=C7)O |
| InChI | InChI=1S/C47H67N9O11S/c1-4-28(2)39-43(62)48-27-38(58)52-20-7-12-35(52)45(64)56-24-9-14-37(56)47(66)54-22-6-11-34(54)42(61)50-32(26-29-15-17-30(57)18-16-29)44(63)55-23-8-13-36(55)46(65)53-21-5-10-33(53)41(60)49-31(40(59)51-39)19-25-68(3)67/h15-18,28,31-37,39,57H,4-14,19-27H2,1-3H3,(H,48,62)(H,49,60)(H,50,61)(H,51,59) |
| InChI Key | MODDKHZHELMWNE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H67N9O11S |
| Molecular Weight | 966.20 g/mol |
| Exact Mass | 965.46807516 g/mol |
| Topological Polar Surface Area (TPSA) | 275.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-DL-Pro-DL-Pro-DL-Pro-DL-Tyr-DL-Pro-DL-Pro-DL-Met(O)-DL-xiIle]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-dl-pro-dl-pro-dl-pro-dl-tyr-dl-pro-dl-pro-dl-meto-dl-xiile.jpg "2D Structure of cyclo[Gly-DL-Pro-DL-Pro-DL-Pro-DL-Tyr-DL-Pro-DL-Pro-DL-Met(O)-DL-xiIle]")
| 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 | 99.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.18% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.09% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.30% | 95.89% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 95.05% | 96.69% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.28% | 82.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.76% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 93.36% | 90.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.16% | 85.14% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.42% | 99.18% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 91.65% | 99.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 91.60% | 91.76% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 91.14% | 94.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.97% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.02% | 97.25% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 89.87% | 92.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.05% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.45% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.19% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.44% | 97.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.12% | 92.97% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.38% | 95.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.65% | 93.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.48% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.01% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.44% | 88.56% |
| CHEMBL4071 | P08311 | Cathepsin G | 81.97% | 94.64% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.73% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.27% | 93.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.14% | 95.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.55% | 93.40% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 80.31% | 97.50% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.04% | 94.00% |
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.
| Leonurus japonicus |
| PubChem | 76393334 |
| LOTUS | LTS0089928 |
| wikiData | Q105168796 |