(5E)-4-methoxy-3-methyl-5-[(1R,9R,10R,11R,12S)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]furan-2-one
| Internal ID | c8cf93ab-a373-497d-86ef-7fc3ca2a8db7 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (5E)-4-methoxy-3-methyl-5-[(1R,9R,10R,11R,12S)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H25NO5/c1-10-13-14-12-6-4-8-20(14)9-5-7-19(13,24-12)25-16(10)17-15(22-3)11(2)18(21)23-17/h10,12-14H,4-9H2,1-3H3/b17-16+/t10-,12+,13+,14-,19+/m0/s1 |
| InChI Key | LXAQGNNSRKLTLE-PPBHGVCISA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C19H25NO5 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (5E)-4-methoxy-3-methyl-5-[(1R,9R,10R,11R,12S)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/e75566c0-84cc-11ee-b163-79b0ac72343d.jpg "2D Structure of (5E)-4-methoxy-3-methyl-5-[(1R,9R,10R,11R,12S)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]furan-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.63% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.69% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.40% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.79% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.57% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.86% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.63% | 90.24% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.42% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.27% | 82.38% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.81% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.35% | 97.25% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.67% | 94.66% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.32% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.82% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.75% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.72% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.61% | 92.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.22% | 98.99% |
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 curtisii |
| PubChem | 163189875 |
| LOTUS | LTS0125124 |
| wikiData | Q105158726 |