(1S,2R,10R,11R,16S,18R)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.02,10.02,16.012,16]icosan-14-one
| Internal ID | 3013f997-827d-4614-a361-a541c4db4a76 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | (1S,2R,10R,11R,16S,18R)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.02,10.02,16.012,16]icosan-14-one |
| SMILES (Canonical) | CC1CC2CC3C4C2(CCCN(CCC4)C)C5(C1)N3OC(=O)N5 |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2C[C@@H]3[C@H]4[C@]2(CCCN(CCC4)C)[C@]5(C1)N3OC(=O)N5 |
| InChI | InChI=1S/C18H29N3O2/c1-12-9-13-10-15-14-5-3-7-20(2)8-4-6-17(13,14)18(11-12)19-16(22)23-21(15)18/h12-15H,3-11H2,1-2H3,(H,19,22)/t12-,13+,14+,15-,17-,18+/m1/s1 |
| InChI Key | WYFPRHAROKKVJQ-IIKVIHMASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H29N3O2 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.22597718 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1S,2R,10R,11R,16S,18R)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.02,10.02,16.012,16]icosan-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/5e47a1a0-863f-11ee-bc18-df376634cb32.jpg "2D Structure of (1S,2R,10R,11R,16S,18R)-6,18-dimethyl-13-oxa-6,12,15-triazapentacyclo[9.8.1.02,10.02,16.012,16]icosan-14-one")
| 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 | 99.41% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.63% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.28% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 91.61% | 95.51% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.43% | 93.04% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.35% | 91.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.33% | 98.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.98% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.71% | 94.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.97% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.65% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.55% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.26% | 93.40% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.22% | 99.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.64% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.38% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.11% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.54% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.33% | 93.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.27% | 98.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.12% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.62% | 91.07% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.44% | 95.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.13% | 95.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.66% | 97.93% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.44% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.07% | 86.33% |
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.
| Huperzia serrata |
| PubChem | 162996430 |
| LOTUS | LTS0169934 |
| wikiData | Q105322168 |