(E)-N-[(5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
| Internal ID | 8ac8c1bd-77f2-4c81-a5fb-17143fc41f0b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | (E)-N-[(5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,11,14,18-19,21-23H,9-10,12-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,21-,22-,23-,27+,28+/m0/s1 |
| InChI Key | QSIASPXMKRQPDR-DDVRDOFFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H42N2O2 |
| Molecular Weight | 438.60 g/mol |
| Exact Mass | 438.324628587 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (E)-N-[(5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/07/sarcovagenine-c.jpg "2D Structure of (E)-N-[(5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-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 | 97.14% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.05% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.52% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.27% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.05% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.31% | 91.19% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.46% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.27% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.51% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.39% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.51% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.81% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.65% | 90.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.73% | 92.88% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.44% | 91.03% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.17% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.90% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.89% | 93.56% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.67% | 85.31% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.11% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.33% | 93.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.72% | 96.90% |
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.
| Alpinia galanga |
| Ampelopsis japonica |
| Cneorum pulverulentum |
| Sarcococca hookeriana |
| PubChem | 101936590 |
| NPASS | NPC116161 |
| LOTUS | LTS0257356 |
| wikiData | Q104888858 |