(1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
| Internal ID | 94b649fc-301c-4996-849b-2b4938fbffd6 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | (1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one |
| SMILES (Canonical) | COC1CCN2C(C1)C34CC2C=CC3=CC(=O)O4 |
| SMILES (Isomeric) | CO[C@H]1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4 |
| InChI | InChI=1S/C14H17NO3/c1-17-11-4-5-15-10-3-2-9-6-13(16)18-14(9,8-10)12(15)7-11/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11+,12-,14+/m1/s1 |
| InChI Key | YKLWRYOORWTCQQ-CZXHOFHRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.29 g/mol |
| Exact Mass | 247.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r4s8s-4-methoxy-14-oxa-7-azatetracyclo6610111027pentadeca-911-dien-13-one.jpg "2D Structure of (1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-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 | 95.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.40% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.15% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.33% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.07% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.00% | 93.40% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.54% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.13% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.90% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.63% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.74% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.66% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.62% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.32% | 99.23% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.69% | 94.66% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.25% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.85% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.84% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.11% | 100.00% |
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.
| Flueggea suffruticosa |
| Margaritaria indica |
| PubChem | 155569275 |
| LOTUS | LTS0086467 |
| wikiData | Q105349763 |