17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
| Internal ID | 4300d1d4-0095-4682-b544-343007b32453 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol |
| SMILES (Canonical) | CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4O)O)C)C)N(C)C |
| SMILES (Isomeric) | CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4O)O)C)C)N(C)C |
| InChI | InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3 |
| InChI Key | QTNGLMWAVBOBLJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H41NO2 |
| Molecular Weight | 363.60 g/mol |
| Exact Mass | 363.313729551 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ed4ae960-857f-11ee-a11e-516524d7670f.jpg "2D Structure of 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 98.09% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 95.65% | 98.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.06% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.90% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.48% | 96.43% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.90% | 97.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.76% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.79% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.91% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.81% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.31% | 91.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.80% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.76% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.73% | 90.08% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.56% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.58% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.85% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.13% | 90.71% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.89% | 98.46% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
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.
| Sarcococca hookeriana |
| Sarcococca ruscifolia |
| PubChem | 4486611 |
| LOTUS | LTS0216109 |
| wikiData | Q104888993 |