2,6-Dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
| Internal ID | bdbf20da-c739-40e3-b0da-286befbc928b |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione |
| SMILES (Canonical) | CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)CC4=O |
| SMILES (Isomeric) | CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)CC4=O |
| InChI | InChI=1S/C21H27NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h11-13,15,17H,3-10H2,1-2H3 |
| InChI Key | CKZNTNLXBLCQDF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H27NO2 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.204179104 g/mol |
| Topological Polar Surface Area (TPSA) | 37.40 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 2,6-Dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/26-dimethyl-8-azahexacyclo1151115021003801619icos-1319-ene-1420-dione.jpg "2D Structure of 2,6-Dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.15% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.85% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.55% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.28% | 85.14% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.33% | 95.69% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.75% | 94.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.27% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 86.90% | 95.72% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.53% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.00% | 95.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.93% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.88% | 92.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.85% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.12% | 93.04% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.01% | 93.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.76% | 90.24% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.35% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.07% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.73% | 86.33% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.37% | 95.88% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.05% | 95.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.92% | 100.00% |
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.
| Daphniphyllum himalayense |
| PubChem | 73040594 |
| LOTUS | LTS0082748 |
| wikiData | Q104963073 |