cyclo[Ala-Ala-Tyr-Pro-Pro-aIle-Gly-Val]
| Internal ID | 0d0cbe0f-f5fd-44b8-bc57-e7fbaee0d016 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3S,9S,12S,15S,18S,24S,27S)-24-[(2R)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-12,15-dimethyl-18-propan-2-yl-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontane-2,8,11,14,17,20,23,26-octone |
| SMILES (Canonical) | CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N1)CC4=CC=C(C=C4)O)C)C)C(C)C |
| SMILES (Isomeric) | CC[C@@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N1)CC4=CC=C(C=C4)O)C)C)C(C)C |
| InChI | InChI=1S/C38H56N8O9/c1-7-21(4)31-35(52)39-19-29(48)43-30(20(2)3)36(53)41-22(5)32(49)40-23(6)33(50)42-26(18-24-12-14-25(47)15-13-24)37(54)46-17-9-11-28(46)38(55)45-16-8-10-27(45)34(51)44-31/h12-15,20-23,26-28,30-31,47H,7-11,16-19H2,1-6H3,(H,39,52)(H,40,49)(H,41,53)(H,42,50)(H,43,48)(H,44,51)/t21-,22+,23+,26+,27+,28+,30+,31+/m1/s1 |
| InChI Key | CICMBTASSAMSLE-FGJSEZBYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H56N8O9 |
| Molecular Weight | 768.90 g/mol |
| Exact Mass | 768.41702539 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-Ala-Tyr-Pro-Pro-aIle-Gly-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-ala-tyr-pro-pro-aile-gly-val.jpg "2D Structure of cyclo[Ala-Ala-Tyr-Pro-Pro-aIle-Gly-Val]")
| 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 | 99.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.42% | 90.08% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 97.29% | 96.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.97% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 94.92% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.39% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.35% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.21% | 97.25% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 93.88% | 90.93% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 93.87% | 99.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.67% | 82.38% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.26% | 92.97% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.99% | 95.93% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 91.23% | 94.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.19% | 97.09% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 90.22% | 92.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.07% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.61% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.35% | 97.05% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.21% | 97.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.78% | 99.18% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.35% | 97.64% |
| CHEMBL4071 | P08311 | Cathepsin G | 87.11% | 94.64% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.25% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.08% | 95.56% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 84.46% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.05% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.89% | 93.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.71% | 98.57% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 82.64% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.57% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.52% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.93% | 95.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.83% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.51% | 88.56% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.49% | 91.76% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.15% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.71% | 86.33% |
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.
| Brachystemma calycinum |
| PubChem | 163041975 |
| LOTUS | LTS0200819 |
| wikiData | Q104959617 |