11-Methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol
| Internal ID | ce6fc248-c65c-42ed-8651-c5554365da0b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | 11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol |
| SMILES (Canonical) | CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6 |
| SMILES (Isomeric) | CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6 |
| InChI | InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3 |
| InChI Key | KWVIBDAKHDJCNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33NO2 |
| Molecular Weight | 343.50 g/mol |
| Exact Mass | 343.251129295 g/mol |
| Topological Polar Surface Area (TPSA) | 32.70 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 11-Methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/11-methyl-5-methylidene-16-oxa-13-azahexacyclo963247011002701317docosan-6-ol.jpg "2D Structure of 11-Methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.51% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.74% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.30% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.08% | 94.45% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 91.40% | 95.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.10% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.93% | 95.88% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 89.38% | 98.46% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.95% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.64% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.11% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.81% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.52% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.19% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.60% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.34% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.77% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.31% | 82.69% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.30% | 99.29% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.16% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.40% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.99% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.79% | 98.33% |
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.
| Aconitum anthora |
| Aconitum heterophyllum |
| Aconitum naviculare |
| Aconitum seravschanicum |
| Aconitum tanguticum |
| PubChem | 4481626 |
| LOTUS | LTS0117433 |
| wikiData | Q105147133 |