(14R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8,12(20),16,18-hexaene
| Internal ID | 8f2087dd-dccd-4d42-bcce-94b505f02b1c |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (14R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8,12(20),16,18-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-2,4-5,8,10,18H,3,6-7,9H2/t10-/m1/s1 |
| InChI Key | BRYYLWHNGJJMQM-SNVBAGLBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.31 g/mol |
| Exact Mass | 265.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 30.50 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (14R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8,12(20),16,18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/14r-35-dioxa-11-azapentacyclo1071026082001419icosa-16812201618-hexaene.jpg "2D Structure of (14R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8,12(20),16,18-hexaene")
| 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 | 97.89% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.02% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.98% | 83.82% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.82% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.21% | 94.45% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.24% | 80.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.62% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.57% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.08% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.02% | 96.09% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 83.06% | 81.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.54% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.46% | 93.99% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.31% | 99.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.91% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.44% | 89.00% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 80.47% | 94.55% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.12% | 100.00% |
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.
| Artabotrys hexapetalus |
| PubChem | 163047263 |
| LOTUS | LTS0207481 |
| wikiData | Q104945099 |