(1R,8R,11S,13R)-11-methoxy-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
| Internal ID | 79e44964-26d1-4bc6-80fb-980a74e3121d |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | (1R,8R,11S,13R)-11-methoxy-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one |
| SMILES (Canonical) | COC1CC2C34CC(N2C1)C=CC3=CC(=O)O4 |
| SMILES (Isomeric) | CO[C@H]1C[C@@H]2[C@@]34C[C@@H](N2C1)C=CC3=CC(=O)O4 |
| InChI | InChI=1S/C13H15NO3/c1-16-10-5-11-13-6-9(14(11)7-10)3-2-8(13)4-12(15)17-13/h2-4,9-11H,5-7H2,1H3/t9-,10-,11+,13+/m0/s1 |
| InChI Key | WTUGFBFFNZHNEK-MEWQQHAOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.26 g/mol |
| Exact Mass | 233.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of (1R,8R,11S,13R)-11-methoxy-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r8r11s13r-11-methoxy-2-oxa-9-azatetracyclo6510150913tetradeca-46-dien-3-one.jpg "2D Structure of (1R,8R,11S,13R)-11-methoxy-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-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 | 96.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.73% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.08% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.03% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.82% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.29% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.00% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.50% | 97.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.73% | 94.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.95% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.84% | 96.43% |
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.
| Phyllanthus niruri |
| PubChem | 154496030 |
| LOTUS | LTS0134580 |
| wikiData | Q105312797 |