N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanamide
| Internal ID | 69783816-491a-4902-8ce0-417b080aecf0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanamide |
| SMILES (Canonical) | CCCC(=O)NC1CCC23CC24C(CCC3C1(C)C)C5(CCC(C5(CC4=O)C)C(C)N(C)C)C |
| SMILES (Isomeric) | CCCC(=O)NC1CCC23CC24C(CCC3C1(C)C)C5(CCC(C5(CC4=O)C)C(C)N(C)C)C |
| InChI | InChI=1S/C30H50N2O2/c1-9-10-25(34)31-23-14-16-29-18-30(29)22(12-11-21(29)26(23,3)4)27(5)15-13-20(19(2)32(7)8)28(27,6)17-24(30)33/h19-23H,9-18H2,1-8H3,(H,31,34) |
| InChI Key | LTGGNRAWDQDJNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50N2O2 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.38722884 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanamide](https://plantaedb.com/storage/docs/compounds/2023/11/d87c74a0-86ca-11ee-b614-215f7b4b8765.jpg "2D Structure of N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-18-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.59% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.94% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.54% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.45% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.50% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.67% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.97% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.22% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.00% | 98.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.91% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.45% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.21% | 94.45% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 86.27% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.88% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.76% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.66% | 99.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.09% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.85% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.80% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.12% | 94.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.09% | 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.
| Buxus balearica |
| PubChem | 162933183 |
| LOTUS | LTS0075868 |
| wikiData | Q105156925 |