Methyl 17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
| Internal ID | f3ce8eda-2d57-4b11-b049-4c4ef48ff88c |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl 17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate |
| SMILES (Canonical) | CC1CN2CC3CCC4=C5C(CC4)C(CC56C2C1CC(C63C)O)C(=O)OC |
| SMILES (Isomeric) | CC1CN2CC3CCC4=C5C(CC4)C(CC56C2C1CC(C63C)O)C(=O)OC |
| InChI | InChI=1S/C23H33NO3/c1-12-10-24-11-14-6-4-13-5-7-15-17(21(26)27-3)9-23(19(13)15)20(24)16(12)8-18(25)22(14,23)2/h12,14-18,20,25H,4-11H2,1-3H3 |
| InChI Key | FZPHLBWCEDTNMR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.50 g/mol |
| Exact Mass | 371.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of Methyl 17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/7a7a3390-865f-11ee-8cb1-652f5f490917.jpg "2D Structure of Methyl 17-hydroxy-14,18-dimethyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate")
| 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 | 98.79% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.72% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.78% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.90% | 95.58% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.87% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.92% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.48% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.42% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.27% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.82% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.14% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.98% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.73% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.63% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.74% | 98.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.42% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.44% | 93.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162960065 |
| LOTUS | LTS0209581 |
| wikiData | Q105005091 |