(1S,7S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12-dien-4-one
| Internal ID | 842d2603-b3f2-4f81-b623-4b354ecfded3 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (1S,7S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12-dien-4-one |
| SMILES (Canonical) | COC1CCC2=CCN3C2(C1)C4=CC(=O)OCC4CC3 |
| SMILES (Isomeric) | CO[C@H]1CCC2=CCN3[C@]2(C1)C4=CC(=O)OC[C@H]4CC3 |
| InChI | InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h5,8,11,13H,2-4,6-7,9-10H2,1H3/t11-,13+,16+/m1/s1 |
| InChI Key | CSWCMJGHMIGDOH-FFSVYQOJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.34 g/mol |
| Exact Mass | 275.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,7S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12-dien-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s7s16s-16-methoxy-5-oxa-10-azatetracyclo8700113027heptadeca-212-dien-4-one.jpg "2D Structure of (1S,7S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12-dien-4-one")
| 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 | 97.02% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.03% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.79% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.70% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.90% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.95% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.50% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.69% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.67% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.30% | 96.43% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.33% | 94.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.14% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.68% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.16% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.65% | 89.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.65% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.48% | 92.12% |
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 berteroana |
| PubChem | 163018600 |
| LOTUS | LTS0094664 |
| wikiData | Q104969622 |