Solasodiene
| Internal ID | c1c9c9f2-9a31-4c94-b990-69f3b67607d1 |
| 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]icosa-16,18-diene-6,2'-piperidine] |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C)NC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C)NC1 |
| InChI | InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3 |
| InChI Key | OYNIUJOJEWHJPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H41NO |
| Molecular Weight | 395.60 g/mol |
| Exact Mass | 395.318814931 g/mol |
| Topological Polar Surface Area (TPSA) | 21.30 Ų |
| XlogP | 6.60 |
| 3,5-Solasodiene |
| Dehydrosolasodine |
| Spirosola-3,5-diene |
| Spirosola-3,5-diene # |
| Solasodiene, 3-dehydroxy- |
| Solasodiene (not validated) |
| 3,5-Solasodien, 3-dehydroxy- |
| 3,5-Solasodine, 3-dehydroxy- |
| CHEBI:181761 |
| OYNIUJOJEWHJPN-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.09% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.30% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.51% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.62% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.28% | 89.05% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.63% | 90.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.55% | 86.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.82% | 95.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.75% | 92.88% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.35% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.76% | 90.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.98% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.09% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.38% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.22% | 92.94% |
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 hazenii |
| Solanum mammosum |
| PubChem | 495009 |
| LOTUS | LTS0057181 |
| wikiData | Q105203429 |