(1S,11R,19R)-11,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene
| Internal ID | 6915a993-f31f-4e0f-86ec-075c9355a69d |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (1S,11R,19R)-11,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene |
| SMILES (Canonical) | COC1CC23C(=CCN2CC(C4=CC5=C(C=C34)OCO5)OC)C=C1 |
| SMILES (Isomeric) | CO[C@@H]1C[C@@]23C(=CCN2C[C@@H](C4=CC5=C(C=C34)OCO5)OC)C=C1 |
| InChI | InChI=1S/C19H21NO4/c1-21-13-4-3-12-5-6-20-10-18(22-2)14-7-16-17(24-11-23-16)8-15(14)19(12,20)9-13/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-,18-,19-/m0/s1 |
| InChI Key | GCZWCRXEHAEXJD-AGRHKRQWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1S,11R,19R)-11,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene](https://plantaedb.com/storage/docs/compounds/2023/11/4ddc9a80-86a9-11ee-ac65-63efacf56ce9.jpg "2D Structure of (1S,11R,19R)-11,19-dimethoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene")
| 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 | 97.62% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.32% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.64% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.09% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.24% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.47% | 80.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.30% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.48% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.70% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.65% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.43% | 82.67% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.12% | 82.38% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.48% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.43% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.85% | 90.24% |
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.
| Erythrina lysistemon |
| PubChem | 162983764 |
| LOTUS | LTS0118164 |
| wikiData | Q105006601 |