(1S,2S,3S,6S,7R,8S,14S,19S)-7-ethyl-3-methyl-19-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5,17-dioxa-13,15-diazapentacyclo[11.4.2.01,14.02,6.08,14]nonadecane-4,16-dione
| Internal ID | c5c28e22-e3a3-4cbe-a750-27f9cb9f8ece |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids > Stichoneurine-type alkaloids |
| IUPAC Name | (1S,2S,3S,6S,7R,8S,14S,19S)-7-ethyl-3-methyl-19-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5,17-dioxa-13,15-diazapentacyclo[11.4.2.01,14.02,6.08,14]nonadecane-4,16-dione |
| SMILES (Canonical) | CCC1C2CCCCN3C24C(CC3C5CC(C(=O)O5)C)(C6C1OC(=O)C6C)OC(=O)N4 |
| SMILES (Isomeric) | CC[C@@H]1[C@@H]2CCCCN3[C@]24[C@](C[C@H]3[C@@H]5C[C@@H](C(=O)O5)C)([C@@H]6[C@H]1OC(=O)[C@H]6C)OC(=O)N4 |
| InChI | InChI=1S/C23H32N2O6/c1-4-13-14-7-5-6-8-25-15(16-9-11(2)19(26)29-16)10-22(23(14,25)24-21(28)31-22)17-12(3)20(27)30-18(13)17/h11-18H,4-10H2,1-3H3,(H,24,28)/t11-,12-,13+,14-,15-,16-,17-,18-,22-,23-/m0/s1 |
| InChI Key | ZRPFHBLJEQEGMA-XLEMYZQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32N2O6 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.22603674 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,3S,6S,7R,8S,14S,19S)-7-ethyl-3-methyl-19-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5,17-dioxa-13,15-diazapentacyclo[11.4.2.01,14.02,6.08,14]nonadecane-4,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8f748090-867f-11ee-8e6f-e5f10d699870.jpg "2D Structure of (1S,2S,3S,6S,7R,8S,14S,19S)-7-ethyl-3-methyl-19-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5,17-dioxa-13,15-diazapentacyclo[11.4.2.01,14.02,6.08,14]nonadecane-4,16-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.23% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.17% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 95.77% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.46% | 96.38% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.20% | 94.66% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.24% | 98.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.06% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.03% | 92.94% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 88.99% | 99.29% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.34% | 93.04% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.73% | 95.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.67% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.64% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.15% | 93.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.72% | 93.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.80% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.33% | 100.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 84.73% | 94.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.28% | 92.50% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.18% | 91.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.13% | 93.40% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.49% | 93.67% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.38% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.07% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.55% | 92.88% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.52% | 96.77% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.42% | 94.78% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.86% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.71% | 90.08% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.62% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.39% | 95.83% |
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.
| Stemona sessilifolia |
| PubChem | 102415589 |
| LOTUS | LTS0185510 |
| wikiData | Q105382151 |