cyclo[D-N(Me)Ala-Gly-Val-N(Me)Ser-N(Me)Val-Ser-Val-D-N(Me)Phe-Gly-Val-N(Me)xiThr-Val-N(Me)xiThr-Val]
| Internal ID | 028013dd-6f91-48d0-aaad-d45ac60df2fd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S,6S,12R,15S,18S,21S,24S,27S,33R,36S,39S,42S)-33-benzyl-18,24-bis(1-hydroxyethyl)-3,39-bis(hydroxymethyl)-1,4,12,13,19,25,34-heptamethyl-6,15,21,27,36,42-hexa(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecazacyclodotetracontane-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C66H110N14O18/c1-32(2)47-63(95)77(18)44(31-82)61(93)78(19)52(37(11)12)58(90)69-42(30-81)56(88)72-50(35(7)8)64(96)76(17)43(27-41-25-23-22-24-26-41)57(89)68-29-46(86)71-48(33(3)4)65(97)79(20)53(39(14)83)60(92)74-51(36(9)10)66(98)80(21)54(40(15)84)59(91)73-49(34(5)6)62(94)75(16)38(13)55(87)67-28-45(85)70-47/h22-26,32-40,42-44,47-54,81-84H,27-31H2,1-21H3,(H,67,87)(H,68,89)(H,69,90)(H,70,85)(H,71,86)(H,72,88)(H,73,91)(H,74,92)/t38-,39?,40?,42+,43-,44+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1 |
| InChI Key | HRWLTBUENCFLGG-QHCIBDNUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C66H110N14O18 |
| Molecular Weight | 1387.70 g/mol |
| Exact Mass | 1386.81225271 g/mol |
| Topological Polar Surface Area (TPSA) | 436.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of cyclo[D-N(Me)Ala-Gly-Val-N(Me)Ser-N(Me)Val-Ser-Val-D-N(Me)Phe-Gly-Val-N(Me)xiThr-Val-N(Me)xiThr-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclod-nmeala-gly-val-nmeser-nmeval-ser-val-d-nmephe-gly-val-nmexithr-val-nmexithr-val.jpg "2D Structure of cyclo[D-N(Me)Ala-Gly-Val-N(Me)Ser-N(Me)Val-Ser-Val-D-N(Me)Phe-Gly-Val-N(Me)xiThr-Val-N(Me)xiThr-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 | 99.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.34% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.54% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.23% | 91.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.19% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.18% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.95% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.03% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.63% | 97.64% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 87.77% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.40% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.71% | 89.67% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.46% | 98.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.85% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.33% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.30% | 97.14% |
| CHEMBL4071 | P08311 | Cathepsin G | 84.03% | 94.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.16% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.08% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.09% | 94.73% |
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 | 139584529 |
| LOTUS | LTS0069472 |
| wikiData | Q105032868 |