Stephensiolide G
| Internal ID | 172fd80e-b39a-4e22-83cc-ec5bcdb99cde |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[(6R,9S,12R,15S,16R)-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,6-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]dodecanamide |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CO)CO)C(C)C)C(C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)N[C@H]1[C@H](OC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CO)CO)C(C)C)C(C)C)C |
| InChI | InChI=1S/C32H57N5O9/c1-7-8-9-10-11-12-13-14-15-16-24(40)35-27-21(6)46-32(45)26(20(4)5)37-30(43)25(19(2)3)36-29(42)23(18-39)33-28(41)22(17-38)34-31(27)44/h19-23,25-27,38-39H,7-18H2,1-6H3,(H,33,41)(H,34,44)(H,35,40)(H,36,42)(H,37,43)/t21-,22-,23+,25-,26?,27+/m1/s1 |
| InChI Key | GIIURBSTZDMMQX-RUMREFJBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H57N5O9 |
| Molecular Weight | 655.80 g/mol |
| Exact Mass | 655.41562841 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | 4.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.07% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.92% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.33% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.17% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.98% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.78% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.64% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.08% | 90.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.77% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.50% | 97.79% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.68% | 93.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.64% | 99.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.23% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.52% | 92.88% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.40% | 96.90% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.00% | 93.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.45% | 98.59% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.37% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.93% | 92.50% |
| CHEMBL1949 | P62937 | Cyclophilin A | 84.61% | 98.57% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.57% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.01% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.41% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.39% | 94.45% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.33% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.93% | 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 | 139591568 |
| LOTUS | LTS0120866 |
| wikiData | Q105009012 |