Stemocurtisinol N-Oxide
| Internal ID | 1deb42e2-e31d-4db5-906a-69cfa54262df |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (5Z)-5-[(1R,6S,9S,10R,11R,12S)-6-[(1S)-1-hydroxypropyl]-12-methyl-5-oxido-14,15-dioxa-5-azoniatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one |
| SMILES (Canonical) | CCC(C1CCC2C3[N+]1(CCCC4(C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C)O2)[O-])O |
| SMILES (Isomeric) | CC[C@@H]([C@@H]1CC[C@H]2[C@@H]3[N+]1(CCC[C@@]4([C@@H]3[C@@H](/C(=C/5\C(=C(C(=O)O5)C)OC)/O4)C)O2)[O-])O |
| InChI | InChI=1S/C22H31NO7/c1-5-14(24)13-7-8-15-17-16-11(2)19(20-18(27-4)12(3)21(25)28-20)30-22(16,29-15)9-6-10-23(13,17)26/h11,13-17,24H,5-10H2,1-4H3/b20-19-/t11-,13-,14-,15-,16+,17-,22+,23?/m0/s1 |
| InChI Key | GQHSQVDONZAQMO-UAMZZLTQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H31NO7 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.21005233 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 2.30 |
| CHEMBL1642207 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.85% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.44% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.68% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.45% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.15% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.83% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.89% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.80% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.86% | 92.62% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.15% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.89% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.75% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.67% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.60% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.40% | 96.47% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.33% | 91.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.25% | 92.88% |
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 | 53320016 |
| LOTUS | LTS0078057 |
| wikiData | Q105015391 |