alpha-Amyrin, TMS derivative
| Internal ID | 3a358130-cc80-42e0-a3a4-b65306c7e1d5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl)oxy-trimethylsilane |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O[Si](C)(C)C)C)C)C2C1C)C)C |
| SMILES (Isomeric) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O[Si](C)(C)C)C)C)C2C1C)C)C |
| InChI | InChI=1S/C33H58OSi/c1-22-14-17-30(5)20-21-32(7)24(28(30)23(22)2)12-13-26-31(6)18-16-27(34-35(9,10)11)29(3,4)25(31)15-19-33(26,32)8/h12,22-23,25-28H,13-21H2,1-11H3 |
| InChI Key | WTQGCUIIGTXDIX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H58OSi |
| Molecular Weight | 498.90 g/mol |
| Exact Mass | 498.42569300 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 0.00 |
| WTQGCUIIGTXDIX-UHFFFAOYSA-N |
| .alpha.-Amyrin, trimethylsilyl ether |
| 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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.40% | 85.30% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.29% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.01% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.19% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.56% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.88% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.79% | 96.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.70% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.15% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.95% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.19% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.15% | 94.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.64% | 100.00% |
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.
| Chenopodium quinoa |
| PubChem | 91735356 |
| LOTUS | LTS0125859 |
| wikiData | Q105312714 |