5,26-Bis[1-(2-methylbut-3-en-2-yloxy)ethyl]-23-(2-methylpropyl)-2,14-di(propan-2-yl)-31-thia-3,6,12,15,21,24,27,32-octazatetracyclo[27.2.1.08,12.017,21]dotriacont-1(32)-ene-4,7,13,16,22,25,28-heptone
| Internal ID | 1cced868-a5da-4c23-876b-bb848c458d07 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 5,26-bis[1-(2-methylbut-3-en-2-yloxy)ethyl]-23-(2-methylpropyl)-2,14-di(propan-2-yl)-31-thia-3,6,12,15,21,24,27,32-octazatetracyclo[27.2.1.08,12.017,21]dotriacont-1(32)-ene-4,7,13,16,22,25,28-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H76N8O9S/c1-15-46(11,12)63-28(9)36-41(59)48-30(23-25(3)4)44(61)54-21-17-19-32(54)39(57)51-35(27(7)8)45(62)55-22-18-20-33(55)40(58)53-37(29(10)64-47(13,14)16-2)42(60)50-34(26(5)6)43-49-31(24-65-43)38(56)52-36/h15-16,25-37H,1-2,17-24H2,3-14H3,(H,48,59)(H,50,60)(H,51,57)(H,52,56)(H,53,58) |
| InChI Key | DAWDGQIAMZWWEL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H76N8O9S |
| Molecular Weight | 929.20 g/mol |
| Exact Mass | 928.54559721 g/mol |
| Topological Polar Surface Area (TPSA) | 242.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 5,26-Bis[1-(2-methylbut-3-en-2-yloxy)ethyl]-23-(2-methylpropyl)-2,14-di(propan-2-yl)-31-thia-3,6,12,15,21,24,27,32-octazatetracyclo[27.2.1.08,12.017,21]dotriacont-1(32)-ene-4,7,13,16,22,25,28-heptone](https://plantaedb.com/storage/docs/compounds/2023/11/1dc797a0-85b2-11ee-a300-2f0f9808ac60.jpg "2D Structure of 5,26-Bis[1-(2-methylbut-3-en-2-yloxy)ethyl]-23-(2-methylpropyl)-2,14-di(propan-2-yl)-31-thia-3,6,12,15,21,24,27,32-octazatetracyclo[27.2.1.08,12.017,21]dotriacont-1(32)-ene-4,7,13,16,22,25,28-heptone")
| 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 | 99.01% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.60% | 97.25% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 97.60% | 92.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.32% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 97.09% | 97.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.97% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.32% | 97.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 92.32% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.04% | 82.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.91% | 99.18% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.69% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.38% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.78% | 97.64% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.05% | 98.05% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.92% | 89.34% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.80% | 95.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.78% | 94.75% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.29% | 90.24% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.14% | 94.66% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.92% | 95.51% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.39% | 93.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.39% | 93.40% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.34% | 90.93% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.28% | 96.90% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.02% | 98.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.36% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.31% | 91.03% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.28% | 94.78% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 82.27% | 94.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.82% | 93.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.54% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.10% | 92.88% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.03% | 95.56% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.02% | 95.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.49% | 86.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.17% | 96.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.11% | 88.56% |
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 | 15780826 |
| LOTUS | LTS0122103 |
| wikiData | Q104974038 |