Solanocapsine
| Internal ID | dfa6a0fa-97bd-4871-a92c-7b3d9796c266 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Solanocapsine-type alkaloids |
| IUPAC Name | (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20R,22S,24R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol |
| SMILES (Canonical) | CC1CC2(C(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)NC1)O |
| SMILES (Isomeric) | C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O |
| InChI | InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1 |
| InChI Key | ZPTJKUUQUDRHTL-QAQRTNARSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H46N2O2 |
| Molecular Weight | 430.70 g/mol |
| Exact Mass | 430.35592871 g/mol |
| Topological Polar Surface Area (TPSA) | 67.50 Ų |
| XlogP | 5.00 |
| Solanocapsin |
| 639-86-1 |
| NSC102622 |
| CHEBI:9189 |
| WWQ51S32N8 |
| NSC-102622 |
| NSC 102622 |
| UNII-WWQ51S32N8 |
| amino(tetramethyl)[?]ol |
| SOLANOCAPSINE [MI] |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.30% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 97.95% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.72% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 94.55% | 97.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.49% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.21% | 98.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.82% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.18% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.96% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.81% | 89.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.66% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.56% | 97.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.94% | 91.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.47% | 97.79% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.46% | 95.58% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.30% | 95.88% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.13% | 93.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.02% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.96% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.24% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.07% | 96.95% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 84.79% | 97.63% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.66% | 95.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.00% | 96.77% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.37% | 86.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.05% | 92.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.43% | 95.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.99% | 96.21% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.97% | 95.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.83% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.42% | 86.33% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.77% | 97.56% |
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 glaucophyllum |
| Solanum pseudocapsicum |
| PubChem | 73419 |
| LOTUS | LTS0021624 |
| wikiData | Q14035668 |