(1R,4R,5R,14R)-8-methoxy-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-triene-4,5-diol
| Internal ID | d355a0df-1b8e-45c9-b2c4-06758d2d3cd6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines |
| IUPAC Name | (1R,4R,5R,14R)-8-methoxy-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-triene-4,5-diol |
| SMILES (Canonical) | COC1=C2C3=C4C(CCC35CCC(C(C5)(O2)O)O)NCCC4=C1 |
| SMILES (Isomeric) | COC1=C2C3=C4[C@@H](CC[C@]35CC[C@H]([C@@](C5)(O2)O)O)NCCC4=C1 |
| InChI | InChI=1S/C18H23NO4/c1-22-12-8-10-4-7-19-11-2-5-17-6-3-13(20)18(21,9-17)23-16(12)15(17)14(10)11/h8,11,13,19-21H,2-7,9H2,1H3/t11-,13-,17-,18-/m1/s1 |
| InChI Key | DBDLNZARDYUQJD-CAHUOCRHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1R,4R,5R,14R)-8-methoxy-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-triene-4,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3f5ee080-837c-11ee-922e-a9327114cc14.jpg "2D Structure of (1R,4R,5R,14R)-8-methoxy-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-triene-4,5-diol")
| 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 | 97.42% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.59% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.60% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.79% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.66% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.30% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.37% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.98% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.59% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.27% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.68% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.31% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.78% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 81.19% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.61% | 97.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.59% | 95.56% |
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.
| Colchicum robustum |
| PubChem | 162976086 |
| LOTUS | LTS0162572 |
| wikiData | Q104974280 |