(3-Ethyl-8,12,14,17-tetramethoxy-16-oxo-3-azahexacyclo[7.6.3.110,13.01,11.02,9.05,18]nonadecan-5-yl)methyl 2-aminobenzoate
| Internal ID | 7bb156ff-8456-4a36-8413-1e274f0774a2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | (3-ethyl-8,12,14,17-tetramethoxy-16-oxo-3-azahexacyclo[7.6.3.110,13.01,11.02,9.05,18]nonadecan-5-yl)methyl 2-aminobenzoate |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(=O)C5(C31)CC(C6CC4C5C6OC)OC)OC)OC)COC(=O)C7=CC=CC=C7N |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C(=O)C5(C31)CC(C6CC4C5C6OC)OC)OC)OC)COC(=O)C7=CC=CC=C7N |
| InChI | InChI=1S/C32H44N2O7/c1-6-34-15-30(16-41-28(36)17-9-7-8-10-20(17)33)12-11-22(38-3)32-19-13-18-21(37-2)14-31(29(32)34,23(19)24(18)39-4)27(35)25(40-5)26(30)32/h7-10,18-19,21-26,29H,6,11-16,33H2,1-5H3 |
| InChI Key | OFZVZACQMZCEAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44N2O7 |
| Molecular Weight | 568.70 g/mol |
| Exact Mass | 568.31485175 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (3-Ethyl-8,12,14,17-tetramethoxy-16-oxo-3-azahexacyclo[7.6.3.110,13.01,11.02,9.05,18]nonadecan-5-yl)methyl 2-aminobenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/7f52e7b0-86de-11ee-aa79-61398634aa28.jpg "2D Structure of (3-Ethyl-8,12,14,17-tetramethoxy-16-oxo-3-azahexacyclo[7.6.3.110,13.01,11.02,9.05,18]nonadecan-5-yl)methyl 2-aminobenzoate")
| 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 | 99.59% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.98% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.97% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.57% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.97% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.44% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.49% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.99% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.05% | 98.95% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.51% | 97.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.15% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.56% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.43% | 89.63% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.32% | 98.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.21% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.87% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.79% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.17% | 97.28% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.17% | 89.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.10% | 97.50% |
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.
| Aconitum septentrionale |
| PubChem | 163192832 |
| LOTUS | LTS0077859 |
| wikiData | Q105191487 |