Alpinigenine
| Internal ID | f97cb6c9-ea23-451e-ae9b-4613c29c0448 |
| Taxonomy | Alkaloids and derivatives > Rhoeadine alkaloids |
| IUPAC Name | 4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaen-18-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)O)C(=C(C=C4)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)O)C(=C(C=C4)OC)OC)OC)OC |
| InChI | InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3 |
| InChI Key | CJYNYVSDQZLRSG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H27NO6 |
| Molecular Weight | 401.50 g/mol |
| Exact Mass | 401.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 2.10 |
| Alpinigenine |
| Rheadan-8-ol, 2,3,10,11-tetramethoxy-16-methyl-, (6alpha,8alpha)- |
| CJYNYVSDQZLRSG-UHFFFAOYSA-N |
| 2,3,10,11-Tetramethoxy-16-methylrheadan-8-ol # |
| [2]Benzopyrano[3,4-a][3]benzazepine, rheadan-8-ol deriv. |
| Rheadan-8-ol, 2,3,10,11-tetramethoxy-16-methyl-, (6.alpha.,8.alpha.)- |
| 4,5,15,16-Tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaen-18-ol |
| 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 | 98.93% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.14% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.97% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.62% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.23% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.70% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.42% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.97% | 85.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.23% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.43% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.88% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.13% | 92.94% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.78% | 91.96% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.41% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.20% | 90.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.09% | 96.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.88% | 93.40% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.69% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.68% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.32% | 92.62% |
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.
| Papaver bracteatum |
| Papaver orientale |
| PubChem | 613751 |
| LOTUS | LTS0233351 |
| wikiData | Q104961929 |