(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
| Internal ID | 3ad136b1-2d8a-4f1a-8587-fdeb8693720d |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids |
| IUPAC Name | (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one |
| SMILES (Canonical) | CC1CC(OC1=O)C2CCC3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C |
| SMILES (Isomeric) | C[C@H]1C[C@H](OC1=O)C2CC[C@@H]3N2CCCC4[C@@H]3[C@@H](/C(=C/5\C(=C(C(=O)O5)C)OC)/O4)C |
| InChI | InChI=1S/C23H31NO6/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/h11-12,14-18H,5-10H2,1-4H3/b21-20-/t11-,12-,14?,15-,16?,17-,18+/m0/s1 |
| InChI Key | JDGNFRYDHRYXNL-SUAYEGHOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO6 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/dc598560-83d9-11ee-bda2-e1841e7e3bfd.jpg "2D Structure of (5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.20% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.48% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 89.19% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.19% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.87% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.11% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.77% | 82.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.41% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.12% | 97.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.77% | 86.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.61% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.75% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.23% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.23% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.56% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.42% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.88% | 99.18% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.84% | 93.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.56% | 92.50% |
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 |
| Stemona parviflora |
| Stemona pierrei |
| Stemona sessilifolia |
| PubChem | 5320745 |
| LOTUS | LTS0158231 |
| wikiData | Q105125457 |