3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol
| Internal ID | 88237b94-7a4c-48ba-9767-c9bcc2f0a973 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H23NO4/c1-21-7-6-13-9-19(25-3)17(22)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1 |
| InChI Key | LKLWVKCEYSPQHL-UHFFFAOYSA-O |
| Popularity | 6 references in papers |
| Molecular Formula | C20H24NO4+ |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.17053325 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 2.60 |
| CHEMBL2008127 |
| BCP25162 |
| NCI60_030399 |
| FT-0772652 |
![2D Structure of 3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/-cyclanolin.jpg "2D Structure of 3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol")
| 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 | 97.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.22% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 96.09% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.23% | 92.94% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 93.91% | 96.76% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.76% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.10% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.67% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.57% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.82% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.15% | 88.48% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.86% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.91% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.44% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.00% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.95% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.69% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.53% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.37% | 94.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 82.04% | 95.70% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.34% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.24% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.54% | 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.
| Stephania cephalantha |
| Stephania elegans |
| Stephania tetrandra |
| PubChem | 28565 |
| LOTUS | LTS0192858 |
| wikiData | Q105153121 |