Ursolic acid 2TMS
| Internal ID | 94c5a644-45d0-4782-8088-4252350926fe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | trimethylsilyl 1,2,6a,6b,9,9,12a-heptamethyl-10-trimethylsilyloxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O[Si](C)(C)C)C)C)C2C1C)C)C(=O)O[Si](C)(C)C |
| SMILES (Isomeric) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O[Si](C)(C)C)C)C)C2C1C)C)C(=O)O[Si](C)(C)C |
| InChI | InChI=1S/C36H64O3Si2/c1-24-16-21-36(31(37)39-41(11,12)13)23-22-34(6)26(30(36)25(24)2)14-15-28-33(5)19-18-29(38-40(8,9)10)32(3,4)27(33)17-20-35(28,34)7/h14,24-25,27-30H,15-23H2,1-13H3 |
| InChI Key | XKHSFOSRVMEQJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H64O3Si2 |
| Molecular Weight | 601.10 g/mol |
| Exact Mass | 600.43939897 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 0.00 |
| XKHSFOSRVMEQJH-UHFFFAOYSA-N |
| Urs-12-en-28-oic acid, 3-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3.beta.)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.41% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.82% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.48% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.50% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.56% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.31% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.11% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.08% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.75% | 92.94% |
| CHEMBL5028 | O14672 | ADAM10 | 80.42% | 97.50% |
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 | 91733272 |
| LOTUS | LTS0269081 |
| wikiData | Q105329482 |