cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betaR)-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl]
| Internal ID | b1dd7b8b-cd05-4c62-b9b0-72fd86b76030 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3S,9S,15S,21S)-9-[(R)-hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37+/m0/s1 |
| InChI Key | BNPYZZVTLFIGQT-FAWZPQLUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H52N8O9 |
| Molecular Weight | 800.90 g/mol |
| Exact Mass | 800.38572527 g/mol |
| Topological Polar Surface Area (TPSA) | 251.00 Ų |
| XlogP | 2.60 |
| WIN 66,306 |
![2D Structure of cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betaR)-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl]](https://plantaedb.com/storage/docs/compounds/2023/11/9dfa5600-873d-11ee-b391-ad4b331824b2.jpg "2D Structure of cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betaR)-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl]")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.90% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.85% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.70% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 98.47% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.61% | 83.10% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.94% | 90.08% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.88% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.38% | 88.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.98% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.96% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.91% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.25% | 99.18% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 91.32% | 96.31% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 90.44% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.32% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.16% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.09% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.94% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.53% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.14% | 98.75% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.77% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.19% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.40% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.24% | 98.59% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.94% | 92.12% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.74% | 97.05% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.16% | 91.43% |
| CHEMBL240 | Q12809 | HERG | 83.72% | 89.76% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.42% | 90.24% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.40% | 90.71% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.23% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.40% | 89.62% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.29% | 96.90% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.04% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.70% | 99.23% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.76% | 80.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.63% | 95.83% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.58% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.04% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 156588942 |
| LOTUS | LTS0205867 |
| wikiData | Q104938962 |