Miltanthaline
| Internal ID | 74f50c4a-ca11-404e-92b2-9db67c9ce35a |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H27NO4/c1-22(2)11-10-15-13-18(25-4)21(26-5)20(23)19(15)17(22)12-14-6-8-16(24-3)9-7-14/h6-9,13,17H,10-12H2,1-5H3/p+1 |
| InChI Key | DMMIFHMAGNNPAL-UHFFFAOYSA-O |
| Popularity | 2 references in papers |
| Molecular Formula | C21H28NO4+ |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.20183337 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
| 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 | 98.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.78% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.96% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.00% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.46% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.25% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.79% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.21% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.28% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.28% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.05% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.73% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.41% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.06% | 92.68% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.57% | 95.50% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.40% | 85.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.78% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.30% | 91.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.30% | 99.15% |
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.
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| There are no matching plants. |
| PubChem | 102094448 |
| LOTUS | LTS0219686 |
| wikiData | Q104985178 |