(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxamide
| Internal ID | c5ca8801-0a0e-4ecd-bd8e-553dfde4312d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H16N2O3/c19-18(21)20-6-5-11-8-14-17(23-9-22-14)16-12-4-2-1-3-10(12)7-13(20)15(11)16/h1-4,8,13H,5-7,9H2,(H2,19,21)/t13-/m1/s1 |
| InChI Key | WEYXUOGKMWIBSS-CYBMUJFWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H16N2O3 |
| Molecular Weight | 308.30 g/mol |
| Exact Mass | 308.11609238 g/mol |
| Topological Polar Surface Area (TPSA) | 64.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/be58ea30-8675-11ee-b3f5-05d60d161a3a.jpg "2D Structure of (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.67% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.44% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.39% | 83.82% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.90% | 95.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.62% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.75% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.99% | 97.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.81% | 96.76% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 85.47% | 81.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 82.93% | 92.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.12% | 91.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.44% | 96.77% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.30% | 94.05% |
| CHEMBL5028 | O14672 | ADAM10 | 80.20% | 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.
| Hexalobus crispiflorus |
| PubChem | 163037966 |
| LOTUS | LTS0022315 |
| wikiData | Q105371120 |