cyclo[Gly-DL-Leu-DL-OLeu-Gly-DL-Val-DL-Phe]
| Internal ID | 162002c8-0e79-44d6-9222-0deae58b9b5c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 9-benzyl-3,18-bis(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | CC(C)CC1C(=O)OC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC2=CC=CC=C2)C(C)C)CC(C)C |
| SMILES (Isomeric) | CC(C)CC1C(=O)OC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC2=CC=CC=C2)C(C)C)CC(C)C |
| InChI | InChI=1S/C30H45N5O7/c1-17(2)12-22-30(41)42-23(13-18(3)4)28(39)32-16-25(37)35-26(19(5)6)29(40)34-21(14-20-10-8-7-9-11-20)27(38)31-15-24(36)33-22/h7-11,17-19,21-23,26H,12-16H2,1-6H3,(H,31,38)(H,32,39)(H,33,36)(H,34,40)(H,35,37) |
| InChI Key | BUYZWYKJFCKQNR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H45N5O7 |
| Molecular Weight | 587.70 g/mol |
| Exact Mass | 587.33189879 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-DL-Leu-DL-OLeu-Gly-DL-Val-DL-Phe]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-dl-leu-dl-oleu-gly-dl-val-dl-phe.jpg "2D Structure of cyclo[Gly-DL-Leu-DL-OLeu-Gly-DL-Val-DL-Phe]")
| 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 | 99.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.32% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.76% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.37% | 90.08% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.97% | 92.97% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.87% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.64% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.51% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.17% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.86% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.46% | 88.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.10% | 89.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.38% | 90.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.87% | 98.59% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.23% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.06% | 95.93% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.97% | 90.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.21% | 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.
| Kandelia candel |
| PubChem | 74218055 |
| LOTUS | LTS0011615 |
| wikiData | Q104946401 |