(2S,4R,5'S)-5',10,11-trimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
| Internal ID | 9123471b-ed12-4b10-93b6-81a0c0940fa0 |
| Taxonomy | Alkaloids and derivatives > Proaporphines |
| IUPAC Name | (2S,4R,5'S)-5',10,11-trimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one |
| SMILES (Canonical) | COC1CC(=O)C=CC12CC3C4=C2C(=C(C=C4CCN3)OC)OC |
| SMILES (Isomeric) | CO[C@H]1CC(=O)C=C[C@]12C[C@@H]3C4=C2C(=C(C=C4CCN3)OC)OC |
| InChI | InChI=1S/C19H23NO4/c1-22-14-8-11-5-7-20-13-10-19(17(16(11)13)18(14)24-3)6-4-12(21)9-15(19)23-2/h4,6,8,13,15,20H,5,7,9-10H2,1-3H3/t13-,15+,19+/m1/s1 |
| InChI Key | YUAGGKXKMLLGQC-WTANOLMUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 56.80 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (2S,4R,5'S)-5',10,11-trimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one](https://plantaedb.com/storage/docs/compounds/2023/11/58a9a070-8622-11ee-85b2-e706baa4c9d1.jpg "2D Structure of (2S,4R,5'S)-5',10,11-trimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.94% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.28% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.48% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.32% | 93.99% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.43% | 92.98% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.31% | 98.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.08% | 97.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.24% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.06% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.95% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.41% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.87% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.25% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.12% | 91.03% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.92% | 94.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.82% | 98.95% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.60% | 82.50% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.08% | 91.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.10% | 97.14% |
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.
| Stephania venosa |
| PubChem | 13996826 |
| LOTUS | LTS0070395 |
| wikiData | Q105362520 |