(1R,11R,13S,16R,18R)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
| Internal ID | ac1e2095-dea9-4d12-941a-ddfb0d6553e9 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (1R,11R,13S,16R,18R)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene |
| SMILES (Canonical) | CCOC1C2=CC3=C(C=C2C45C=CC(CC4NCC5O1)OC)OCO3 |
| SMILES (Isomeric) | CCO[C@H]1C2=CC3=C(C=C2[C@]45C=C[C@@H](C[C@H]4NC[C@H]5O1)OC)OCO3 |
| InChI | InChI=1S/C19H23NO5/c1-3-22-18-12-7-14-15(24-10-23-14)8-13(12)19-5-4-11(21-2)6-16(19)20-9-17(19)25-18/h4-5,7-8,11,16-18,20H,3,6,9-10H2,1-2H3/t11-,16+,17+,18+,19+/m0/s1 |
| InChI Key | DWXXGLPEQMCHLG-JZQXSHSJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 58.20 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,11R,13S,16R,18R)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/58d70520-859a-11ee-b8c8-99cd9358ac43.jpg "2D Structure of (1R,11R,13S,16R,18R)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.16% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.99% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.13% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.52% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.20% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.83% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.84% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.85% | 80.96% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.20% | 95.93% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.85% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.08% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.64% | 94.80% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.48% | 97.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.12% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.23% | 98.95% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 81.35% | 96.06% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.33% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.14% | 90.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.70% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.53% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.36% | 94.73% |
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.
| Crinum bulbispermum |
| PubChem | 162917457 |
| LOTUS | LTS0221883 |
| wikiData | Q104990842 |