6,16-Dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-4,8-diol
| Internal ID | 1d8682ec-6b8e-40b9-921c-f9d1bf26bd9c |
| Taxonomy | Organoheterocyclic compounds > Azepines |
| IUPAC Name | 6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-4,8-diol |
| SMILES (Canonical) | COCC12CCC(C34C1CC(C3N=C2)C5(CC(C6CC4C5C6O)OC)O)OC |
| SMILES (Isomeric) | COCC12CCC(C34C1CC(C3N=C2)C5(CC(C6CC4C5C6O)OC)O)OC |
| InChI | InChI=1S/C22H33NO5/c1-26-10-20-5-4-16(28-3)22-12-6-11-14(27-2)8-21(25,17(12)18(11)24)13(7-15(20)22)19(22)23-9-20/h9,11-19,24-25H,4-8,10H2,1-3H3 |
| InChI Key | JPLPLHNAGFAWNX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33NO5 |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 80.50 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 6,16-Dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-4,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/b8063a10-861d-11ee-8c4d-add21b6d51ef.jpg "2D Structure of 6,16-Dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-4,8-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.80% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.98% | 85.14% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 90.43% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.38% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.26% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.97% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.71% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.66% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.01% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.28% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.64% | 98.99% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.84% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.59% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.39% | 96.43% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.98% | 94.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.50% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.20% | 92.62% |
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.
| Aconitum variegatum |
| PubChem | 73802113 |
| LOTUS | LTS0119850 |
| wikiData | Q105132911 |