(3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylpropanoate
Internal ID | 2e59345c-182e-4ee7-a80c-b2b0c739a4e6 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
IUPAC Name | (3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylpropanoate |
SMILES (Canonical) | CC1=CC(=O)C2C3C1C2(CCC(C3(C)C)OC(=O)C(C)C)C |
SMILES (Isomeric) | CC1=CC(=O)C2C3C1C2(CCC(C3(C)C)OC(=O)C(C)C)C |
InChI | InChI=1S/C19H28O3/c1-10(2)17(21)22-13-7-8-19(6)14-11(3)9-12(20)15(19)16(14)18(13,4)5/h9-10,13-16H,7-8H2,1-6H3 |
InChI Key | TUUQUPXXMYBMMH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H28O3 |
Molecular Weight | 304.40 g/mol |
Exact Mass | 304.20384475 g/mol |
Topological Polar Surface Area (TPSA) | 43.40 Ų |
XlogP | 3.60 |
There are no found synonyms. |
![2D Structure of (3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylpropanoate 2D Structure of (3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3379-tetramethyl-11-oxo-4-tricyclo540028undec-9-enyl-2-methylpropanoate.jpg)
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 | 94.72% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.46% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.64% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.33% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.87% | 97.25% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.72% | 94.75% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.55% | 82.69% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.30% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.34% | 89.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.16% | 93.04% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.46% | 99.23% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.44% | 90.71% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.40% | 100.00% |
CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.29% | 92.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.29% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.04% | 92.62% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.81% | 96.47% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.49% | 85.30% |
CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.42% | 91.19% |
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.
Stevia salicifolia |
PubChem | 162865690 |
LOTUS | LTS0170635 |
wikiData | Q105265056 |