20-Hydroxy-6,8,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
| Internal ID | 5d8b7ee3-9c9a-4567-be92-070528be09d7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | 20-hydroxy-6,8,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| SMILES (Canonical) | CC1CC(C2CC3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)C |
| SMILES (Isomeric) | CC1CC(C2CC3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)C |
| InChI | InChI=1S/C27H43NO2/c1-15-8-16(2)25-9-17-4-5-19-20(22(17)14-28(25)13-15)11-23-21(19)12-26(30)24-10-18(29)6-7-27(23,24)3/h15-25,29H,4-14H2,1-3H3 |
| InChI Key | AZDIWQCQCMRTKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H43NO2 |
| Molecular Weight | 413.60 g/mol |
| Exact Mass | 413.329379614 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 20-Hydroxy-6,8,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/20-hydroxy-6823-trimethyl-4-azahexacyclo1211002110490152401823pentacosan-17-one.jpg "2D Structure of 20-Hydroxy-6,8,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one")
| 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 | 96.44% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.59% | 97.25% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 93.84% | 95.92% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.30% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.75% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.04% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.75% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.98% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.76% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.76% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.75% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.75% | 95.88% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.93% | 97.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.78% | 97.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.60% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.98% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.85% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.05% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.24% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.35% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.24% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.24% | 92.50% |
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.
| Fritillaria imperialis |
| PubChem | 163073437 |
| LOTUS | LTS0080265 |
| wikiData | Q104921617 |