cyclo[DL-Arg-ObAla(3-isohexyl)-DL-Trp-DL-Pro]
| Internal ID | d296c4a4-0f36-443e-9075-a54bbddd718f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[3-[3-(1H-indol-3-ylmethyl)-7-(4-methylpentyl)-2,5,9,12-tetraoxo-8-oxa-1,4,11-triazabicyclo[11.3.0]hexadecan-10-yl]propyl]guanidine |
| SMILES (Canonical) | CC(C)CCCC1CC(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)O1)CCCN=C(N)N)CC3=CNC4=CC=CC=C43 |
| SMILES (Isomeric) | CC(C)CCCC1CC(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)O1)CCCN=C(N)N)CC3=CNC4=CC=CC=C43 |
| InChI | InChI=1S/C31H45N7O5/c1-19(2)8-5-9-21-17-27(39)36-25(16-20-18-35-23-11-4-3-10-22(20)23)29(41)38-15-7-13-26(38)28(40)37-24(30(42)43-21)12-6-14-34-31(32)33/h3-4,10-11,18-19,21,24-26,35H,5-9,12-17H2,1-2H3,(H,36,39)(H,37,40)(H4,32,33,34) |
| InChI Key | KIIFEJGTOKNNQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H45N7O5 |
| Molecular Weight | 595.70 g/mol |
| Exact Mass | 595.34821756 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Arg-ObAla(3-isohexyl)-DL-Trp-DL-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-arg-obala3-isohexyl-dl-trp-dl-pro.jpg "2D Structure of cyclo[DL-Arg-ObAla(3-isohexyl)-DL-Trp-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.46% | 83.82% |
| CHEMBL204 | P00734 | Thrombin | 97.19% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.81% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.47% | 88.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.28% | 97.64% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.20% | 96.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.95% | 94.45% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.87% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.29% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.13% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.78% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.44% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.96% | 96.61% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 92.66% | 83.10% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 90.71% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.12% | 93.03% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.72% | 90.71% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 89.24% | 99.52% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.03% | 96.47% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.96% | 89.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.46% | 99.23% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.18% | 82.38% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.50% | 91.81% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.43% | 91.76% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.06% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.21% | 97.25% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.29% | 94.66% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.01% | 98.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.16% | 98.75% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.97% | 85.83% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.04% | 89.63% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.02% | 95.62% |
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.
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| There are no matching plants. |
| PubChem | 73836248 |
| LOTUS | LTS0183335 |
| wikiData | Q105141528 |