15-[1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
| Internal ID | 4279c279-f998-4d88-beff-b24ae9636f09 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Buxus alkaloids |
| IUPAC Name | 15-[1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine |
| SMILES (Canonical) | CC(C1CCC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)C)NC)C)C)N(C)C |
| SMILES (Isomeric) | CC(C1CCC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)C)NC)C)C)N(C)C |
| InChI | InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3 |
| InChI Key | VSOMBMILGWLJQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H46N2 |
| Molecular Weight | 398.70 g/mol |
| Exact Mass | 398.366099476 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 15-[1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine](https://plantaedb.com/storage/docs/compounds/2023/11/f0f6ea90-858d-11ee-bbd5-f50e56266bdc.jpg "2D Structure of 15-[1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine")
| 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 | 96.03% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.31% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.01% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.76% | 98.95% |
| CHEMBL268 | P43235 | Cathepsin K | 89.55% | 96.85% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.97% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.79% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.30% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.01% | 85.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.79% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.18% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.89% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.40% | 92.88% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.21% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.07% | 96.43% |
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 sempervirens |
| PubChem | 14589014 |
| LOTUS | LTS0090826 |
| wikiData | Q105292403 |