N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]benzamide
| Internal ID | b0d0eae4-fc16-48c4-a8a6-f784aac3d42b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Buxus alkaloids |
| IUPAC Name | N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]benzamide |
| SMILES (Canonical) | CC(C1CCC2(C1(CC=C3C2CCC4C(C3)CCC(C4(C)C)NC(=O)C5=CC=CC=C5)C)C)N(C)C |
| SMILES (Isomeric) | CC(C1CCC2(C1(CC=C3C2CCC4C(C3)CCC(C4(C)C)NC(=O)C5=CC=CC=C5)C)C)N(C)C |
| InChI | InChI=1S/C33H50N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,22,24,26-29H,13-16,18-21H2,1-7H3,(H,34,36) |
| InChI Key | GUMUPBSXTQNKBR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H50N2O |
| Molecular Weight | 490.80 g/mol |
| Exact Mass | 490.392314223 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/756479e0-865f-11ee-86b1-cfc91f67b615.jpg "2D Structure of N-[15-[1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.80% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.92% | 96.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.59% | 85.31% |
| CHEMBL5028 | O14672 | ADAM10 | 90.67% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.62% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.35% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.87% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.69% | 83.82% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.99% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.87% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.17% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.16% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.05% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.50% | 93.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.21% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.20% | 97.14% |
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 papillosa |
| PubChem | 13890863 |
| LOTUS | LTS0177886 |
| wikiData | Q105020290 |