Deacetylsolaphyllidine
| Internal ID | e692bc10-962f-4cf1-b3ba-85ff75b73005 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > 22,26-epiminocholestanes |
| IUPAC Name | 3,16-dihydroxy-17-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,13-dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one |
| SMILES (Canonical) | CC1CC(C(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5=O)O)C)C)O)O |
| SMILES (Isomeric) | CC1CC(C(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5=O)O)C)C)O)O |
| InChI | InChI=1S/C27H45NO4/c1-14-11-22(31)24(28-13-14)15(2)23-21(30)12-19-16-5-6-18-25(32)20(29)8-10-26(18,3)17(16)7-9-27(19,23)4/h14-24,28-31H,5-13H2,1-4H3 |
| InChI Key | PTLHVDMORFDUBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H45NO4 |
| Molecular Weight | 447.60 g/mol |
| Exact Mass | 447.33485892 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 4.00 |
| AKOS040751439 |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.21% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.11% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.87% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.46% | 82.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 94.03% | 95.58% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.77% | 96.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.83% | 85.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.15% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.27% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.16% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.86% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.59% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.61% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.20% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.50% | 96.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.25% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.24% | 85.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.21% | 93.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.12% | 98.10% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.02% | 91.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.17% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.35% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.94% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.60% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.54% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.93% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 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.
| Solanum barbulatum |
| PubChem | 14580552 |
| LOTUS | LTS0186873 |
| wikiData | Q105214708 |