(3,6,14-Trihydroxy-5,5,9,14-tetramethyl-4-oxo-16-tricyclo[11.2.1.01,10]hexadec-8-enyl) propanoate
| Internal ID | 3f6ec970-aab8-466f-a209-14c4221a3cac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Grayanoids |
| IUPAC Name | (3,6,14-trihydroxy-5,5,9,14-tetramethyl-4-oxo-16-tricyclo[11.2.1.01,10]hexadec-8-enyl) propanoate |
| SMILES (Canonical) | CCC(=O)OC1C2CCC3C1(CC(C(=O)C(C(CC=C3C)O)(C)C)O)CC2(C)O |
| SMILES (Isomeric) | CCC(=O)OC1C2CCC3C1(CC(C(=O)C(C(CC=C3C)O)(C)C)O)CC2(C)O |
| InChI | InChI=1S/C23H36O6/c1-6-18(26)29-20-15-9-8-14-13(2)7-10-17(25)21(3,4)19(27)16(24)11-23(14,20)12-22(15,5)28/h7,14-17,20,24-25,28H,6,8-12H2,1-5H3 |
| InChI Key | JLLRIQKRZIZIFW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O6 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (3,6,14-Trihydroxy-5,5,9,14-tetramethyl-4-oxo-16-tricyclo[11.2.1.01,10]hexadec-8-enyl) propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3614-trihydroxy-55914-tetramethyl-4-oxo-16-tricyclo11210110hexadec-8-enyl-propanoate.jpg "2D Structure of (3,6,14-Trihydroxy-5,5,9,14-tetramethyl-4-oxo-16-tricyclo[11.2.1.01,10]hexadec-8-enyl) propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.35% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.24% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.93% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.94% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.55% | 96.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.42% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.59% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.45% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.89% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.82% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.71% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.41% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.16% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.79% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.60% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.53% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.51% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.42% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.29% | 93.04% |
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.
| Pieris formosa |
| PubChem | 162865100 |
| LOTUS | LTS0126414 |
| wikiData | Q105130873 |