cyclo[Gly-DL-xiThr-DL-Phe-DL-Leu-DL-Tyr-DL-xiThr]
| Internal ID | fde849e3-84fa-4913-9a27-9e1180966d0d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 12-benzyl-3,15-bis(1-hydroxyethyl)-6-[(4-hydroxyphenyl)methyl]-9-(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H46N6O9/c1-18(2)14-24-30(45)37-26(16-22-10-12-23(43)13-11-22)32(47)40-28(19(3)41)33(48)35-17-27(44)39-29(20(4)42)34(49)38-25(31(46)36-24)15-21-8-6-5-7-9-21/h5-13,18-20,24-26,28-29,41-43H,14-17H2,1-4H3,(H,35,48)(H,36,46)(H,37,45)(H,38,49)(H,39,44)(H,40,47) |
| InChI Key | XNTUZIAQCKJMCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H46N6O9 |
| Molecular Weight | 682.80 g/mol |
| Exact Mass | 682.33262707 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-DL-xiThr-DL-Phe-DL-Leu-DL-Tyr-DL-xiThr]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-dl-xithr-dl-phe-dl-leu-dl-tyr-dl-xithr.jpg "2D Structure of cyclo[Gly-DL-xiThr-DL-Phe-DL-Leu-DL-Tyr-DL-xiThr]")
| 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 | 99.60% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.95% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.92% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 96.34% | 90.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.20% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.21% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.90% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.04% | 95.89% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.95% | 89.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.66% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.78% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.59% | 95.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.74% | 97.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.20% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.90% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.25% | 98.75% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 83.00% | 87.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.06% | 91.71% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.74% | 89.44% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.10% | 94.73% |
| CHEMBL4071 | P08311 | Cathepsin G | 80.12% | 94.64% |
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 dichotoma |
| PubChem | 85105468 |
| LOTUS | LTS0121134 |
| wikiData | Q105331956 |