(5Z)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-dien-4-ylidene]furan-2-one
| Internal ID | bd478d90-04b4-48e4-9fb5-29df997efe2e |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (5Z)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-dien-4-ylidene]furan-2-one |
| SMILES (Canonical) | CC1C2C(CCCN3C2=CC=C3)OC1=C4C(=C(C(=O)O4)C)OC |
| SMILES (Isomeric) | C[C@H]\1[C@H]2[C@@H](CCCN3C2=CC=C3)O/C1=C\4/C(=C(C(=O)O4)C)OC |
| InChI | InChI=1S/C18H21NO4/c1-10-14-12-6-4-8-19(12)9-5-7-13(14)22-16(10)17-15(21-3)11(2)18(20)23-17/h4,6,8,10,13-14H,5,7,9H2,1-3H3/b17-16-/t10-,13+,14+/m0/s1 |
| InChI Key | FXVHTRMDTUSKQV-GZOOZXGESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.40 g/mol |
| Exact Mass | 315.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (5Z)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-dien-4-ylidene]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/55f765d0-8645-11ee-9f35-0db4cf39d4eb.jpg "2D Structure of (5Z)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-dien-4-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 | 92.37% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.51% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.27% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.89% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.50% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.14% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.68% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.39% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.33% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.56% | 86.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.39% | 90.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.07% | 83.82% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.62% | 97.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.17% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.80% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.01% | 94.45% |
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 | 135020658 |
| LOTUS | LTS0100856 |
| wikiData | Q105004325 |