[(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-9',10'-diacetyloxy-8',12',15',15'-tetramethyl-13'-oxo-5'-triethylsilyloxyspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-2'-yl] acetate
| Internal ID | d935fc09-0767-4543-8540-f804e08b03ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-9',10'-diacetyloxy-8',12',15',15'-tetramethyl-13'-oxo-5'-triethylsilyloxyspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-2'-yl] acetate |
| SMILES (Canonical) | CC[Si](CC)(CC)OC1CCC2(C(C13CO3)C(C4CC(=O)C(=C(C4(C)C)C(C2OC(=O)C)OC(=O)C)C)OC(=O)C)C |
| SMILES (Isomeric) | CC[Si](CC)(CC)O[C@H]1CC[C@@]2([C@@H]([C@@]13CO3)[C@@H]([C@@H]4CC(=O)C(=C(C4(C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C)C)OC(=O)C)C |
| InChI | InChI=1S/C32H50O9Si/c1-11-42(12-2,13-3)41-24-14-15-31(10)28(32(24)17-37-32)26(38-19(5)33)22-16-23(36)18(4)25(30(22,8)9)27(39-20(6)34)29(31)40-21(7)35/h22,24,26-29H,11-17H2,1-10H3/t22-,24-,26+,27+,28-,29-,31+,32+/m0/s1 |
| InChI Key | FQUUEVQWEWPIDX-JVJQIZFNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H50O9Si |
| Molecular Weight | 606.80 g/mol |
| Exact Mass | 606.32240970 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of [(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-9',10'-diacetyloxy-8',12',15',15'-tetramethyl-13'-oxo-5'-triethylsilyloxyspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-2'-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/10773b60-856e-11ee-8f56-93880e95cc88.jpg "2D Structure of [(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-9',10'-diacetyloxy-8',12',15',15'-tetramethyl-13'-oxo-5'-triethylsilyloxyspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-2'-yl] acetate")
| 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 | 96.68% | 96.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.23% | 81.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.19% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.89% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.05% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.01% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.25% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.65% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.88% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.81% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.43% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.27% | 97.28% |
| CHEMBL5028 | O14672 | ADAM10 | 83.10% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.71% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.25% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.39% | 96.21% |
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.
| Taxus cuspidata |
| PubChem | 15378584 |
| LOTUS | LTS0136378 |
| wikiData | Q104999899 |