Heptyl tributylsilyl ether
| Internal ID | 3523ff1e-82a0-4f81-b9c5-08efeddc7100 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1S,9S,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methanol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO |
| SMILES (Isomeric) | C[C@@]12CCCC(C1CC[C@]34C2CC[C@H](C3)C(=C)C4)(C)CO |
| InChI | InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16?,17?,18?,19-,20-/m1/s1 |
| InChI Key | TUJQVRFWMWRMIO-LOYJXSOTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O |
| Molecular Weight | 288.50 g/mol |
| Exact Mass | 288.245315640 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.50 |
| Heptyl tributylsilyl ether |
| TUJQVRFWMWRMIO-LOYJXSOTSA-N |
| 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 | 97.44% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.12% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.75% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.72% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.54% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.97% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.93% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.72% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.60% | 98.10% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.02% | 95.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.61% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.32% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.85% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.14% | 95.93% |
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.
| Arabidopsis thaliana |
| PubChem | 6431356 |
| LOTUS | LTS0200465 |
| wikiData | Q105264804 |