N-[17-[1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide
| Internal ID | 66931497-8c91-405c-9ca4-4663be7570e9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids |
| IUPAC Name | N-[17-[1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48N2O2/c1-17(2)14-26(32)29-24-15-19-8-9-20-22-11-10-21(18(3)30(6)7)27(22,4)13-12-23(20)28(19,5)16-25(24)31/h14,18-25,31H,8-13,15-16H2,1-7H3,(H,29,32) |
| InChI Key | NNCXWVUZKIDBPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48N2O2 |
| Molecular Weight | 444.70 g/mol |
| Exact Mass | 444.37157878 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of N-[17-[1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/df93fe90-8823-11ee-bf63-13ae009bef8c.jpg "2D Structure of N-[17-[1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide")
| 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 | 98.48% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 98.28% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.27% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.25% | 98.10% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.00% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.79% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.72% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.54% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.69% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.30% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.13% | 94.45% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.25% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.13% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.03% | 85.30% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.86% | 99.35% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.51% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.16% | 94.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.97% | 95.93% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.85% | 95.36% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.43% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.32% | 93.00% |
| CHEMBL268 | P43235 | Cathepsin K | 83.90% | 96.85% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.92% | 93.03% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.33% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.18% | 96.43% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.15% | 85.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.09% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.71% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.96% | 97.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.59% | 95.64% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.46% | 95.58% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.44% | 97.14% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.33% | 99.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.11% | 97.50% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.10% | 80.96% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.01% | 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.
| Pachysandra axillaris |
| PubChem | 75244591 |
| LOTUS | LTS0162317 |
| wikiData | Q105182070 |