15alpha-Hydroxy-soladulcidine
| Internal ID | 3ca751ff-9593-4af9-ac17-512bfd7c2a06 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Spirosolanes and derivatives |
| IUPAC Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3,16-diol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)O)C)NC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)O)C)NC1 |
| InChI | InChI=1S/C27H45NO3/c1-15-7-12-27(28-14-15)16(2)21-24(31-27)23(30)22-19-6-5-17-13-18(29)8-10-25(17,3)20(19)9-11-26(21,22)4/h15-24,28-30H,5-14H2,1-4H3 |
| InChI Key | FBBNBCYJERUAGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H45NO3 |
| Molecular Weight | 431.70 g/mol |
| Exact Mass | 431.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 61.70 Ų |
| XlogP | 5.20 |
| 15.alpha.-Hydroxy-soladulcidine |
| FBBNBCYJERUAGT-UHFFFAOYSA-N |
| 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 | 96.25% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.61% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 95.29% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.22% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.03% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.19% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.64% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.56% | 96.38% |
| CHEMBL204 | P00734 | Thrombin | 89.52% | 96.01% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.05% | 97.31% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.76% | 95.88% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.22% | 92.88% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 86.13% | 95.42% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 85.22% | 88.81% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.95% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.70% | 96.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.40% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.77% | 97.93% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 83.58% | 91.83% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.36% | 93.18% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.10% | 97.63% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.38% | 98.10% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.92% | 96.77% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.86% | 96.61% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.65% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.53% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.86% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.76% | 95.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.42% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.39% | 93.04% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.33% | 97.79% |
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 dulcamara |
| PubChem | 575220 |
| LOTUS | LTS0173668 |
| wikiData | Q104992545 |