16-Hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.17,16.01,8.05,17.09,14.014,18]icosan-19-one
| Internal ID | 32143a12-3710-4da4-a87b-982cb86dff56 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | 16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.17,16.01,8.05,17.09,14.014,18]icosan-19-one |
| SMILES (Canonical) | CC12CCCC34C1C5(CC67C3C(=O)C(CC6C4N(C2)C5)C(=C)C7)O |
| SMILES (Isomeric) | CC12CCCC34C1C5(CC67C3C(=O)C(CC6C4N(C2)C5)C(=C)C7)O |
| InChI | InChI=1S/C21H27NO2/c1-11-7-19-8-20(24)10-22-9-18(2)4-3-5-21(17(18)20)15(19)14(23)12(11)6-13(19)16(21)22/h12-13,15-17,24H,1,3-10H2,2H3 |
| InChI Key | MGEDPNBPAMLIHW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27NO2 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.204179104 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 16-Hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.17,16.01,8.05,17.09,14.014,18]icosan-19-one](https://plantaedb.com/storage/docs/compounds/2023/11/16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo96217160180517091401418icosan-19-one.jpg "2D Structure of 16-Hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.17,16.01,8.05,17.09,14.014,18]icosan-19-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 | 97.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.97% | 95.88% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 88.09% | 96.06% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.87% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.18% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.12% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.07% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.04% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.25% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.20% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.21% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.53% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.39% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.15% | 97.05% |
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.
| Thalictrum javanicum |
| PubChem | 162930478 |
| LOTUS | LTS0144493 |
| wikiData | Q105163253 |