Solanidan-3-ol, (3beta,5alpha,22beta)-
| Internal ID | 84963b21-0c16-46d7-9979-8c9f3c481667 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Solanidines and derivatives |
| IUPAC Name | (1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol |
| SMILES (Canonical) | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C |
| InChI | InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChI Key | JALVTHFTYRPDMB-OFMODGJOSA-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) | 23.50 Ų |
| XlogP | 6.90 |
| Solanidan-3-ol, (3beta,5alpha,22beta)- |
| 3922-07-4 |
| DTXSID40192478 |
| 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 | 97.09% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 96.07% | 89.05% |
| CHEMBL238 | Q01959 | Dopamine transporter | 95.99% | 95.88% |
| CHEMBL204 | P00734 | Thrombin | 93.11% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.01% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.71% | 92.86% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.13% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.95% | 82.69% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 89.35% | 98.46% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.29% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.48% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 84.42% | 97.63% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 84.40% | 96.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.39% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.81% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.68% | 86.33% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.70% | 97.64% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.68% | 94.78% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.46% | 97.93% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.38% | 98.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.37% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.13% | 91.03% |
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 tuberosum |
| PubChem | 21117597 |
| LOTUS | LTS0050887 |
| wikiData | Q83065164 |