16,28-Secosolanid-5-en-3-ol, (3beta)-
| Internal ID | e1fd6ce1-00d7-4a04-a30c-9fc0a635db8b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > 22,26-epiminocholestanes |
| IUPAC Name | 10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC1CCC(NC1)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C |
| SMILES (Isomeric) | CC1CCC(NC1)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C |
| InChI | InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3 |
| InChI Key | SWTXHUUBYZNDAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H45NO |
| Molecular Weight | 399.70 g/mol |
| Exact Mass | 399.350115059 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 6.50 |
| SWTXHUUBYZNDAJ-UHFFFAOYSA-N |
| 20-(5-Methyl-2-piperidinyl)pregn-5-en-3-ol # |
| Pregn-5-en-3.beta.-ol, 20.alpha.-((2R,5S)-5-methyl-2-piperidyl)- |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.36% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.54% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.38% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.83% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.61% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.71% | 95.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.49% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.19% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.03% | 90.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.78% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.58% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.32% | 95.88% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.15% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.97% | 96.43% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.97% | 93.56% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.96% | 85.31% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.88% | 98.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.86% | 98.10% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 82.28% | 97.63% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.21% | 93.04% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.18% | 95.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.69% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.09% | 100.00% |
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.
| Veratrum album |
| Veratrum oblongum |
| PubChem | 566870 |
| LOTUS | LTS0174568 |
| wikiData | Q105262893 |