cyclo[Gly-Ser-Ile-D-Phe-Phe-D-Ser]
| Internal ID | d67e38f4-e06c-48aa-9792-53d46e7d8e88 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3R,6S,9R,12S,15S)-6,9-dibenzyl-12-[(2S)-butan-2-yl]-3,15-bis(hydroxymethyl)-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)CO)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)CO)CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChI | InChI=1S/C32H42N6O8/c1-3-19(2)27-32(46)36-23(15-21-12-8-5-9-13-21)29(43)35-22(14-20-10-6-4-7-11-20)30(44)37-24(17-39)28(42)33-16-26(41)34-25(18-40)31(45)38-27/h4-13,19,22-25,27,39-40H,3,14-18H2,1-2H3,(H,33,42)(H,34,41)(H,35,43)(H,36,46)(H,37,44)(H,38,45)/t19-,22-,23+,24+,25-,27-/m0/s1 |
| InChI Key | DUXWLONYIPUPOW-CKOZJVCSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42N6O8 |
| Molecular Weight | 638.70 g/mol |
| Exact Mass | 638.30641232 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-Ser-Ile-D-Phe-Phe-D-Ser]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-ser-ile-d-phe-phe-d-ser.jpg "2D Structure of cyclo[Gly-Ser-Ile-D-Phe-Phe-D-Ser]")
| 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 | 99.14% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.47% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.05% | 90.17% |
| CHEMBL4071 | P08311 | Cathepsin G | 91.26% | 94.64% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.02% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.25% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.88% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.19% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.09% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.07% | 97.25% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.58% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.17% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.06% | 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.
| Arenaria oreophila |
| PubChem | 163041624 |
| LOTUS | LTS0117554 |
| wikiData | Q104989655 |