Stevastelin A3
| Internal ID | d8afd62c-c5f7-45d2-a303-8da286fec471 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | [13-(3-hydroxyhexadecan-2-yl)-12-methyl-2,5,8,11-tetraoxo-9-propan-2-yl-6-(1-sulfooxyethyl)-1-oxa-4,7,10-triazacyclotridec-3-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H61N3O12S/c1-8-9-10-11-12-13-14-15-16-17-18-19-27(39)22(4)30-23(5)31(40)36-28(21(2)3)32(41)37-29(24(6)49-50(44,45)46)33(42)35-26(34(43)48-30)20-47-25(7)38/h21-24,26-30,39H,8-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)(H,44,45,46) |
| InChI Key | CJLJASOVVWRIFV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H61N3O12S |
| Molecular Weight | 735.90 g/mol |
| Exact Mass | 735.39759556 g/mol |
| Topological Polar Surface Area (TPSA) | 232.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
| 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 | 98.60% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.76% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.83% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.30% | 97.79% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.77% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.37% | 90.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.31% | 97.29% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.36% | 91.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.89% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.34% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.23% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.82% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.56% | 89.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 87.96% | 98.57% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.90% | 96.90% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.52% | 98.75% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.44% | 92.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.42% | 92.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.77% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.68% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.12% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.89% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.52% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.01% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.86% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.65% | 99.17% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 82.36% | 90.24% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.69% | 96.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.84% | 96.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.19% | 97.64% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85254467 |
| LOTUS | LTS0211157 |
| wikiData | Q77508594 |