cyclo[DL-N(Me)Ala-Sar-DL-N(Me)Leu-DL-Pro-DL-N(Me)Tyr(Me)-DL-Ala-DL-N(Me)xiIle-DL-N(Me)Leu-DL-N(Me)xiIle]
| Internal ID | 6466c336-e7f6-4cb0-a17b-14d7b5c355fc |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 12,18-di(butan-2-yl)-24-[(4-methoxyphenyl)methyl]-4,7,9,10,13,16,19,21,25-nonamethyl-3,15-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone |
| SMILES (Canonical) | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)N(C(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N1C)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C)C)C)C(C)CC)C)CC(C)C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(CC(=O)N(C(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N1C)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C)C)C)C(C)CC)C)CC(C)C)C |
| InChI | InChI=1S/C54H89N9O10/c1-19-34(7)45-53(71)57(12)37(10)49(67)56(11)31-44(64)58(13)43(29-33(5)6)52(70)63-27-21-22-40(63)50(68)59(14)41(30-38-23-25-39(73-18)26-24-38)47(65)55-36(9)48(66)61(16)46(35(8)20-2)54(72)60(15)42(28-32(3)4)51(69)62(45)17/h23-26,32-37,40-43,45-46H,19-22,27-31H2,1-18H3,(H,55,65) |
| InChI Key | JLHTWKAMOWZDGJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H89N9O10 |
| Molecular Weight | 1024.30 g/mol |
| Exact Mass | 1023.67324007 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-N(Me)Ala-Sar-DL-N(Me)Leu-DL-Pro-DL-N(Me)Tyr(Me)-DL-Ala-DL-N(Me)xiIle-DL-N(Me)Leu-DL-N(Me)xiIle]](https://plantaedb.com/storage/docs/compounds/2023/11/62b85840-87ed-11ee-a076-490bfca7cc98.jpg "2D Structure of cyclo[DL-N(Me)Ala-Sar-DL-N(Me)Leu-DL-Pro-DL-N(Me)Tyr(Me)-DL-Ala-DL-N(Me)xiIle-DL-N(Me)Leu-DL-N(Me)xiIle]")
| 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 | 99.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.40% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.25% | 96.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.95% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.55% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.41% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.65% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.39% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.79% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.78% | 94.66% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.52% | 97.05% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.99% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.38% | 93.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.89% | 92.68% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 88.75% | 97.29% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.58% | 99.18% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.03% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.90% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.73% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.09% | 95.34% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.28% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.26% | 90.08% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.28% | 92.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.04% | 94.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.01% | 98.59% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.94% | 82.38% |
| CHEMBL1949 | P62937 | Cyclophilin A | 84.05% | 98.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.85% | 97.14% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.48% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.28% | 97.64% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.98% | 96.61% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 82.94% | 92.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.64% | 93.31% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 82.42% | 94.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.96% | 95.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.91% | 91.03% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.70% | 95.12% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.21% | 92.67% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.84% | 93.65% |
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.
| There are no matching plants. |
| PubChem | 72805023 |
| LOTUS | LTS0074972 |
| wikiData | Q104169651 |