cyclo[Sar-DL-Trp-DL-N(Me)Val-DL-xiIle-DL-N(Me)Val-DL-N(Me)Val-Sar-DL-N(Me)Val-DL-N(Me)xiIle-Sar-DL-Val-DL-N(Me)xiIle]
| Internal ID | a6680af2-1d32-4053-8b50-ac57009ee241 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 9,21,30-tri(butan-2-yl)-15-(1H-indol-3-ylmethyl)-1,4,7,13,19,22,28,31,34-nonamethyl-3,6,12,24,33-penta(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86) |
| InChI Key | RPRXGEAIZUOLRT-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C69H115N13O12 |
| Molecular Weight | 1318.70 g/mol |
| Exact Mass | 1317.87881615 g/mol |
| Topological Polar Surface Area (TPSA) | 286.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of cyclo[Sar-DL-Trp-DL-N(Me)Val-DL-xiIle-DL-N(Me)Val-DL-N(Me)Val-Sar-DL-N(Me)Val-DL-N(Me)xiIle-Sar-DL-Val-DL-N(Me)xiIle]](https://plantaedb.com/storage/docs/compounds/2023/11/omphalotin-a.jpg "2D Structure of cyclo[Sar-DL-Trp-DL-N(Me)Val-DL-xiIle-DL-N(Me)Val-DL-N(Me)Val-Sar-DL-N(Me)Val-DL-N(Me)xiIle-Sar-DL-Val-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 | 99.52% | 98.95% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.63% | 96.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.62% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.33% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.81% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.52% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.14% | 90.08% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 94.79% | 92.12% |
| CHEMBL1949 | P62937 | Cyclophilin A | 94.43% | 98.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.50% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.95% | 94.75% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.20% | 97.64% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.46% | 93.99% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.32% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.85% | 94.66% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.54% | 92.62% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 86.81% | 93.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.92% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.83% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.69% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.43% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.69% | 95.83% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.17% | 92.67% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.82% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.30% | 93.40% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.73% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.69% | 94.73% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.53% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.51% | 89.62% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.64% | 92.97% |
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 | 23590061 |
| LOTUS | LTS0131403 |
| wikiData | Q104196833 |