cyclo[Ac3c-DL-xiHyp-DL-Ser-DL-Lys-bAla-DL-Ser-DL-Ser]
| Internal ID | 9df7865d-8456-448e-9142-e0ca8cd3a7cb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 16-(4-aminobutyl)-24-hydroxy-6,9,19-tris(hydroxymethyl)spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H44N8O11/c28-7-2-1-3-15-21(41)29-8-4-20(40)30-16(11-36)22(42)32-18(13-38)24(44)34-27(5-6-27)26(46)35-10-14(39)9-19(35)25(45)33-17(12-37)23(43)31-15/h14-19,36-39H,1-13,28H2,(H,29,41)(H,30,40)(H,31,43)(H,32,42)(H,33,45)(H,34,44) |
| InChI Key | GWGAXRUGGRQBFQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H44N8O11 |
| Molecular Weight | 656.70 g/mol |
| Exact Mass | 656.31295425 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | -4.70 |
| There are no found synonyms. |
![2D Structure of cyclo[Ac3c-DL-xiHyp-DL-Ser-DL-Lys-bAla-DL-Ser-DL-Ser]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloac3c-dl-xihyp-dl-ser-dl-lys-bala-dl-ser-dl-ser.jpg "2D Structure of cyclo[Ac3c-DL-xiHyp-DL-Ser-DL-Lys-bAla-DL-Ser-DL-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.04% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.50% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.54% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.75% | 98.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.58% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.35% | 95.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 91.28% | 94.66% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.26% | 93.18% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.69% | 97.79% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.88% | 88.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.84% | 93.40% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 88.24% | 96.11% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 87.19% | 92.32% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.70% | 95.51% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.30% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.20% | 95.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.93% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.55% | 82.69% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.54% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 84.15% | 88.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.50% | 91.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.49% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.27% | 97.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.24% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.99% | 97.05% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 82.80% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.61% | 93.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.20% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.56% | 100.00% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 80.81% | 97.98% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162981112 |
| LOTUS | LTS0064302 |
| wikiData | Q104167537 |