(5E)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-dien-4-ylidene]furan-2-one
| Internal ID | decb11c4-8483-44c1-9d31-096f9f85303d |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (5E)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-dien-4-ylidene]furan-2-one |
| SMILES (Canonical) | CC1CC(OC1=O)C2=CC=C3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C |
| SMILES (Isomeric) | C[C@H]1C[C@H](OC1=O)C2=CC=C3N2CCC[C@@H]4[C@@H]3[C@@H](/C(=C\5/C(=C(C(=O)O5)C)OC)/O4)C |
| InChI | InChI=1S/C23H27NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h7-8,11-12,16-18H,5-6,9-10H2,1-4H3/b21-20+/t11-,12-,16+,17-,18+/m0/s1 |
| InChI Key | GZYSVEMTTMYHDO-FPHJXNNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H27NO6 |
| Molecular Weight | 413.50 g/mol |
| Exact Mass | 413.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (5E)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-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/2023/11/4acb7ee0-8560-11ee-b2ab-f7fddda0b0f9.jpg "2D Structure of (5E)-4-methoxy-3-methyl-5-[(2R,3S,6R)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.71% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.74% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.97% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.93% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.89% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.21% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.14% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.87% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.77% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.19% | 97.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.33% | 86.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.70% | 94.45% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.64% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.05% | 89.00% |
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 | 101675310 |
| LOTUS | LTS0098784 |
| wikiData | Q105024739 |