cyclo[Ala-Gly-Ser-Ile-Phe-Phe]
| Internal ID | 6d91528a-7a07-42f6-8c07-77c71dffdc8e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S,6S,9S,12S,15S)-6,9-dibenzyl-12-[(2S)-butan-2-yl]-15-(hydroxymethyl)-3-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CO)C)CC2=CC=CC=C2)CC3=CC=CC=C3 |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CO)C)CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChI | InChI=1S/C32H42N6O7/c1-4-19(2)27-32(45)37-24(16-22-13-9-6-10-14-22)30(43)36-23(15-21-11-7-5-8-12-21)29(42)34-20(3)28(41)33-17-26(40)35-25(18-39)31(44)38-27/h5-14,19-20,23-25,27,39H,4,15-18H2,1-3H3,(H,33,41)(H,34,42)(H,35,40)(H,36,43)(H,37,45)(H,38,44)/t19-,20-,23-,24-,25-,27-/m0/s1 |
| InChI Key | PMMISECAXPWOSB-GFRGYEAHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42N6O7 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.31149770 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-Gly-Ser-Ile-Phe-Phe]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-gly-ser-ile-phe-phe.jpg "2D Structure of cyclo[Ala-Gly-Ser-Ile-Phe-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 | 99.19% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.99% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.93% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.63% | 90.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.02% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.75% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.03% | 91.11% |
| CHEMBL4071 | P08311 | Cathepsin G | 87.87% | 94.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.00% | 90.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.93% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.44% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.28% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.31% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.34% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.05% | 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.
| Stellaria delavayi |
| PubChem | 10699124 |
| LOTUS | LTS0130957 |
| wikiData | Q105211590 |