Scopularide D
| Internal ID | 9a17ec3c-0606-4feb-ac73-b5814218eb61 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9R,12S,19S)-6-methyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H63N5O7/c1-11-12-13-14-15-23(8)17-24(9)27-18-28(41)36-19-29(42)39-30(21(4)5)34(45)38-26(16-20(2)3)33(44)37-25(10)32(43)40-31(22(6)7)35(46)47-27/h20-27,30-31H,11-19H2,1-10H3,(H,36,41)(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t23-,24-,25-,26+,27-,30-,31-/m0/s1 |
| InChI Key | CSJVUDGCIHMRRC-ORJUUISASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H63N5O7 |
| Molecular Weight | 665.90 g/mol |
| Exact Mass | 665.47274937 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 6.70 |
| 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 | 99.30% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.96% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.15% | 89.63% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.93% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.41% | 91.11% |
| CHEMBL1949 | P62937 | Cyclophilin A | 94.69% | 98.57% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.92% | 98.03% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.83% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.67% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.49% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.41% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.30% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.35% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.56% | 98.59% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.53% | 95.93% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.08% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.08% | 90.71% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.87% | 91.81% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.36% | 93.99% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.16% | 97.29% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.14% | 92.12% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.01% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.25% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.20% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.74% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.60% | 96.90% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.57% | 90.24% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.34% | 92.97% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.16% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.11% | 88.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.98% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.75% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.21% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.20% | 96.47% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.12% | 93.31% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.87% | 99.35% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.86% | 95.50% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 83.83% | 94.55% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 83.59% | 96.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.24% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.16% | 93.10% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.59% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.23% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.21% | 86.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.83% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146683038 |
| LOTUS | LTS0071836 |
| wikiData | Q104969364 |