(1R,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-trien-4-one
| Internal ID | 7cd73c69-54e0-44f9-909e-2df15f110b19 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (1R,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-trien-4-one |
| SMILES (Canonical) | COC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1 |
| SMILES (Isomeric) | CO[C@@H]1C[C@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1 |
| InChI | InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,8,11,13H,4,6-7,9-10H2,1H3/t11-,13+,16-/m1/s1 |
| InChI Key | IXPDLJKEPLTCOU-PVXIVEMSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.33 g/mol |
| Exact Mass | 273.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (1R,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-trien-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r7s16r-16-methoxy-5-oxa-10-azatetracyclo8700113027heptadeca-21214-trien-4-one.jpg "2D Structure of (1R,7S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2,12,14-trien-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 | 95.67% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.00% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.15% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.35% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.23% | 96.77% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.65% | 96.43% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.96% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.90% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.72% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.30% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.51% | 91.11% |
| CHEMBL204 | P00734 | Thrombin | 84.28% | 96.01% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.71% | 97.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.60% | 95.53% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.32% | 94.66% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.05% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.57% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
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 americana |
| Erythrina tholloniana |
| PubChem | 162850857 |
| LOTUS | LTS0270012 |
| wikiData | Q105122357 |