(5,10,15-Trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadeca-1(12),14-dien-2-yl) acetate
| Internal ID | b1e7cd2a-71d4-4409-8c32-de8b9744decf |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | (5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadeca-1(12),14-dien-2-yl) acetate |
| SMILES (Canonical) | CC1=COC2=C1C(C3C(O3)(CCC4C(C2)(O4)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=COC2=C1C(C3C(O3)(CCC4C(C2)(O4)C)C)OC(=O)C |
| InChI | InChI=1S/C17H22O5/c1-9-8-19-11-7-17(4)12(21-17)5-6-16(3)15(22-16)14(13(9)11)20-10(2)18/h8,12,14-15H,5-7H2,1-4H3 |
| InChI Key | QFOTYWXLSVTWAX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 64.50 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (5,10,15-Trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadeca-1(12),14-dien-2-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/51015-trimethyl-4913-trioxatetracyclo10300350810pentadeca-11214-dien-2-yl-acetate.jpg "2D Structure of (5,10,15-Trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadeca-1(12),14-dien-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.55% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.04% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.81% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.10% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.93% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.52% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.37% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.92% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.77% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.62% | 97.28% |
| CHEMBL5028 | O14672 | ADAM10 | 80.25% | 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.
| Salvia castanea |
| PubChem | 74434353 |
| LOTUS | LTS0036275 |
| wikiData | Q105219691 |