(7-Hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl) acetate
| Internal ID | fb8ec22c-2bf2-40dc-ba5c-58dfeb38fe06 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Solanidines and derivatives |
| IUPAC Name | (7-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl) acetate |
| SMILES (Canonical) | CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC(=O)C |
| InChI | InChI=1S/C29H45NO3/c1-16-12-25(33-18(3)31)27-17(2)26-24(30(27)15-16)14-23-21-7-6-19-13-20(32)8-10-28(19,4)22(21)9-11-29(23,26)5/h6,16-17,20-27,32H,7-15H2,1-5H3 |
| InChI Key | ZZYWILWDFCFHLX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H45NO3 |
| Molecular Weight | 455.70 g/mol |
| Exact Mass | 455.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (7-Hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/207cdd00-83a6-11ee-9832-8de5c58e2e23.jpg "2D Structure of (7-Hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl) acetate")
| 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 | 99.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.83% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.74% | 94.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.73% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.40% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.50% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.75% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.68% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 86.60% | 96.01% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.36% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.32% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.73% | 82.69% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.98% | 94.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.75% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.96% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.76% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.96% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.33% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.47% | 96.43% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.07% | 93.56% |
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 chacoense |
| PubChem | 14455251 |
| LOTUS | LTS0054171 |
| wikiData | Q105235023 |