(1R,13R)-4'-methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione
| Internal ID | f55a7223-b834-478e-a5ed-756df8179461 |
| Taxonomy | Organoheterocyclic compounds > Azepanes |
| IUPAC Name | (1R,13R)-4'-methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione |
| SMILES (Canonical) | CC1=C2CCCCN3C2(CCC3)C4(C1=O)C(=C(C(=O)O4)C)OC |
| SMILES (Isomeric) | CC1=C2CCCCN3[C@@]2(CCC3)[C@]4(C1=O)C(=C(C(=O)O4)C)OC |
| InChI | InChI=1S/C18H23NO4/c1-11-13-7-4-5-9-19-10-6-8-17(13,19)18(14(11)20)15(22-3)12(2)16(21)23-18/h4-10H2,1-3H3/t17-,18+/m1/s1 |
| InChI Key | YRGLLFADJRHUKM-MSOLQXFVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (1R,13R)-4'-methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/14b9e320-85fb-11ee-9853-f72aad533004.jpg "2D Structure of (1R,13R)-4'-methoxy-3',11-dimethylspiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione")
| 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 | 95.82% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.05% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 92.48% | 96.01% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.21% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.74% | 82.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.34% | 93.99% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.09% | 95.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.16% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.11% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.92% | 96.77% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.81% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.06% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.06% | 96.39% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.85% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.66% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.51% | 93.03% |
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 | 21125442 |
| LOTUS | LTS0125426 |
| wikiData | Q105352780 |