(5Z)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-Hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
| Internal ID | e4f81d47-4587-4b58-a351-c6375e81ea85 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (5Z)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H31NO6/c1-5-14(24)13-7-8-15-17-16-11(2)19(20-18(26-4)12(3)21(25)27-20)29-22(16,28-15)9-6-10-23(13)17/h11,13-17,24H,5-10H2,1-4H3/b20-19-/t11-,13-,14-,15+,16+,17-,22+/m0/s1 |
| InChI Key | WAULTDWQPCNZBI-SBKNPRMJSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C22H31NO6 |
| Molecular Weight | 405.50 g/mol |
| Exact Mass | 405.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 2.30 |
| CHEBI:69389 |
| Q27137728 |
| (5Z)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-Hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one |
![2D Structure of (5Z)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-Hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/stemocurtisinol.jpg "2D Structure of (5Z)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-Hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-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 | 99.30% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.56% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 92.53% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.68% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.47% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.06% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.72% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.84% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.45% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.07% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.20% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.78% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.69% | 96.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.37% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.74% | 94.66% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.47% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.35% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.30% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.64% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.53% | 93.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.01% | 96.43% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.39% | 93.00% |
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 curtisii |
| PubChem | 11350254 |
| LOTUS | LTS0034457 |
| wikiData | Q27137728 |