cyclo[DL-Ala-bAla-DL-Leu-DL-N(Me)Val-DL-xiThr-bAla-DL-Leu-DL-N(Me)xiIle-bAla-DL-xiIle-DL-N(Me)Val]
| Internal ID | 71cc6bed-f307-408e-83b5-f92530aa2f4d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 22,29-di(butan-2-yl)-3-(1-hydroxyethyl)-7,16,20,30-tetramethyl-9,32-bis(2-methylpropyl)-6,19-di(propan-2-yl)-1,4,7,10,14,17,20,23,27,30,33-undecazacyclohexatriacontane-2,5,8,11,15,18,21,24,28,31,34-undecone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H95N11O12/c1-18-32(11)41-53(76)63(16)43(30(7)8)49(72)57-34(13)46(69)54-23-20-38(66)58-36(26-28(3)4)51(74)62(15)44(31(9)10)50(73)61-42(35(14)65)47(70)55-24-21-39(67)59-37(27-29(5)6)52(75)64(17)45(33(12)19-2)48(71)56-25-22-40(68)60-41/h28-37,41-45,65H,18-27H2,1-17H3,(H,54,69)(H,55,70)(H,56,71)(H,57,72)(H,58,66)(H,59,67)(H,60,68)(H,61,73) |
| InChI Key | FEFFNAONEMMYID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C53H95N11O12 |
| Molecular Weight | 1078.40 g/mol |
| Exact Mass | 1077.71616751 g/mol |
| Topological Polar Surface Area (TPSA) | 314.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-bAla-DL-Leu-DL-N(Me)Val-DL-xiThr-bAla-DL-Leu-DL-N(Me)xiIle-bAla-DL-xiIle-DL-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ala-bala-dl-leu-dl-nmeval-dl-xithr-bala-dl-leu-dl-nmexiile-bala-dl-xiile-dl-nmeval.jpg "2D Structure of cyclo[DL-Ala-bAla-DL-Leu-DL-N(Me)Val-DL-xiThr-bAla-DL-Leu-DL-N(Me)xiIle-bAla-DL-xiIle-DL-N(Me)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 | 99.71% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.08% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.71% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 96.35% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.67% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.50% | 95.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.46% | 94.75% |
| CHEMBL1949 | P62937 | Cyclophilin A | 92.89% | 98.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.53% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.64% | 94.66% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.13% | 95.51% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 89.38% | 94.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.33% | 90.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.33% | 97.79% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 87.18% | 96.31% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 87.07% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.07% | 90.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.85% | 92.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.76% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.27% | 98.03% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 84.53% | 94.36% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 84.52% | 92.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.29% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.60% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.02% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.99% | 88.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.50% | 93.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.95% | 96.90% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 80.59% | 97.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.38% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.20% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73196436 |
| LOTUS | LTS0183413 |
| wikiData | Q104993946 |