(1R,12R,14R)-9-methoxy-11-oxa-3-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
| Internal ID | a06cbfdd-2a4d-4fc5-b22f-4011b30f35b5 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | (1R,12R,14R)-9-methoxy-11-oxa-3-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H21NO3/c1-19-12-3-2-10-5-7-17-9-16-6-4-11(18)8-13(16)20-15(12)14(10)16/h2-3,11,13,17-18H,4-9H2,1H3/t11-,13-,16-/m1/s1 |
| InChI Key | WPQSQFIACMNONR-AXAPSJFSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.34 g/mol |
| Exact Mass | 275.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 50.70 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1R,12R,14R)-9-methoxy-11-oxa-3-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1r12r14r-9-methoxy-11-oxa-3-azatetracyclo86101120617heptadeca-61779-trien-14-ol.jpg "2D Structure of (1R,12R,14R)-9-methoxy-11-oxa-3-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.90% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.68% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.02% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.73% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.26% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.43% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.52% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.62% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.96% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.15% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.04% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.61% | 91.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.10% | 95.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.62% | 97.14% |
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.
| Galanthus elwesii |
| PubChem | 163068147 |
| LOTUS | LTS0199421 |
| wikiData | Q105310153 |