2-(8-Acetyloxy-3-hydroxy-6,9,12-trimethyl-11-oxo-3-tetracyclo[7.5.0.02,6.012,14]tetradecanyl)propyl acetate
| Internal ID | 344cd20b-f5fd-41ec-9d1e-98b8ce1834da |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-(8-acetyloxy-3-hydroxy-6,9,12-trimethyl-11-oxo-3-tetracyclo[7.5.0.02,6.012,14]tetradecanyl)propyl acetate |
| SMILES (Canonical) | CC(COC(=O)C)C1(CCC2(C1C3C4CC4(C(=O)CC3(C(C2)OC(=O)C)C)C)C)O |
| SMILES (Isomeric) | CC(COC(=O)C)C1(CCC2(C1C3C4CC4(C(=O)CC3(C(C2)OC(=O)C)C)C)C)O |
| InChI | InChI=1S/C24H36O6/c1-13(12-29-14(2)25)24(28)8-7-21(4)11-18(30-15(3)26)23(6)10-17(27)22(5)9-16(22)19(23)20(21)24/h13,16,18-20,28H,7-12H2,1-6H3 |
| InChI Key | FWLYMJIZCBOQPY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 2-(8-Acetyloxy-3-hydroxy-6,9,12-trimethyl-11-oxo-3-tetracyclo[7.5.0.02,6.012,14]tetradecanyl)propyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a5ac7d20-8546-11ee-a623-5b8f4a0c91f7.jpg "2D Structure of 2-(8-Acetyloxy-3-hydroxy-6,9,12-trimethyl-11-oxo-3-tetracyclo[7.5.0.02,6.012,14]tetradecanyl)propyl 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.23% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.58% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.22% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.09% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.98% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.88% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.97% | 98.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.70% | 91.24% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.54% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.38% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.35% | 97.79% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.33% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.03% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.68% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.42% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.19% | 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.
| Fossombronia alaskana |
| PubChem | 163047641 |
| LOTUS | LTS0082671 |
| wikiData | Q105003391 |