4'-Methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',4,12-trione
| Internal ID | 7a9455f6-3f12-4fcf-a5d9-13a7740444b4 |
| Taxonomy | Organoheterocyclic compounds > Azepanes |
| IUPAC Name | 4'-methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',4,12-trione |
| SMILES (Canonical) | CC1=C2CCCCN3C2(CCC3=O)C4(C1=O)C(=C(C(=O)O4)C)OC |
| SMILES (Isomeric) | CC1=C2CCCCN3C2(CCC3=O)C4(C1=O)C(=C(C(=O)O4)C)OC |
| InChI | InChI=1S/C18H21NO5/c1-10-12-6-4-5-9-19-13(20)7-8-17(12,19)18(14(10)21)15(23-3)11(2)16(22)24-18/h4-9H2,1-3H3 |
| InChI Key | HKTYWBZUTFHGKL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 4'-Methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',4,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-311-dimethylspiro5-azatricyclo830015tridec-10-ene-135-furan-2412-trione.jpg "2D Structure of 4'-Methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',4,12-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.06% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.51% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.24% | 89.63% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.11% | 82.38% |
| CHEMBL204 | P00734 | Thrombin | 88.56% | 96.01% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.50% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.32% | 91.11% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.23% | 95.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.63% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.61% | 85.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.67% | 95.53% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.58% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.54% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.38% | 93.04% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.64% | 96.39% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.50% | 90.00% |
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.
| Stemona japonica |
| PubChem | 44555242 |
| LOTUS | LTS0055741 |
| wikiData | Q105029971 |