(13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl) carbamate
| Internal ID | 63483780-610c-4600-8d30-df594ed6c4dd |
| Taxonomy | Benzenoids |
| IUPAC Name | (13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl) carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42N2O6/c1-17-13-21-10-8-11-22(16-21)30-27(32)18(2)9-7-12-23(34-5)26(36-28(29)33)20(4)15-19(3)25(31)24(14-17)35-6/h8-11,15-17,19,23-26,31H,7,12-14H2,1-6H3,(H2,29,33)(H,30,32) |
| InChI Key | VSRDDIXOACNXNB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42N2O6 |
| Molecular Weight | 502.60 g/mol |
| Exact Mass | 502.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl) carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/8d1798e0-860a-11ee-92f0-c9b93fe867ed.jpg "2D Structure of (13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl) carbamate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha |
5.4 nM |
Kd |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.84% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.58% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.14% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 95.03% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.53% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.51% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.19% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.67% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.67% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.47% | 96.77% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 87.36% | 93.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.31% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.50% | 98.75% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.27% | 97.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.84% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.94% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.33% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.07% | 94.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.91% | 83.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.77% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.87% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.78% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.36% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.10% | 97.05% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.01% | 83.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74316939 |
| LOTUS | LTS0120867 |
| wikiData | Q105292457 |