(1R,8R,13S)-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
| Internal ID | 6b3c19b2-8194-4046-9075-b28962fca42c |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | (1R,8R,13S)-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one |
| SMILES (Canonical) | C1CC2C34CC(N2C1)C=CC3=CC(=O)O4 |
| SMILES (Isomeric) | C1C[C@H]2[C@@]34C[C@@H](N2C1)C=CC3=CC(=O)O4 |
| InChI | InChI=1S/C12H13NO2/c14-11-6-8-3-4-9-7-12(8,15-11)10-2-1-5-13(9)10/h3-4,6,9-10H,1-2,5,7H2/t9-,10-,12+/m0/s1 |
| InChI Key | NBGOALXYAZVRPS-JBLDHEPKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.24 g/mol |
| Exact Mass | 203.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1R,8R,13S)-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r8r13s-2-oxa-9-azatetracyclo6510150913tetradeca-46-dien-3-one.jpg "2D Structure of (1R,8R,13S)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.47% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.64% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.89% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.02% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.76% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.57% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.59% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.55% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 84.00% | 80.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.61% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.19% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.16% | 99.18% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.86% | 91.76% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.20% | 86.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.07% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.95% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.65% | 96.43% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.33% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.89% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.70% | 90.71% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.66% | 94.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.28% | 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 virosa |
| PubChem | 11830512 |
| LOTUS | LTS0064150 |
| wikiData | Q105176767 |