(5E)-4-methoxy-3-methyl-5-[(1R,6S,8R,9R,10R,11S)-11-methyl-6-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-13,14-dioxa-5-azatetracyclo[6.5.1.01,10.05,9]tetradecan-12-ylidene]furan-2-one
| Internal ID | a91eda5f-33e5-462d-9440-e2ce3c1d5e81 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids |
| IUPAC Name | (5E)-4-methoxy-3-methyl-5-[(1R,6S,8R,9R,10R,11S)-11-methyl-6-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-13,14-dioxa-5-azatetracyclo[6.5.1.01,10.05,9]tetradecan-12-ylidene]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H29NO7/c1-10-8-14(28-21(10)25)13-9-15-17-16-11(2)19(20-18(27-4)12(3)22(26)29-20)31-23(16,30-15)6-5-7-24(13)17/h10-11,13-17H,5-9H2,1-4H3/b20-19+/t10-,11-,13-,14-,15+,16+,17-,23+/m0/s1 |
| InChI Key | VWLSPPQJJDUUFR-XXHVQFJZSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C23H29NO7 |
| Molecular Weight | 431.50 g/mol |
| Exact Mass | 431.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (5E)-4-methoxy-3-methyl-5-[(1R,6S,8R,9R,10R,11S)-11-methyl-6-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-13,14-dioxa-5-azatetracyclo[6.5.1.01,10.05,9]tetradecan-12-ylidene]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/d487c2f0-8295-11ee-b515-1f4b4c5f8c37.jpg "2D Structure of (5E)-4-methoxy-3-methyl-5-[(1R,6S,8R,9R,10R,11S)-11-methyl-6-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-13,14-dioxa-5-azatetracyclo[6.5.1.01,10.05,9]tetradecan-12-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.62% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 95.75% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.74% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.54% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.20% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.07% | 97.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.65% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.61% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.91% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.54% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.10% | 93.00% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 82.22% | 92.38% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.20% | 94.66% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.97% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.25% | 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 curtisii |
| Stemona kerrii |
| PubChem | 162891913 |
| LOTUS | LTS0081995 |
| wikiData | Q105298158 |