2-hydroxy-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-olate
| Internal ID | 8ed04074-7760-4838-b49b-16ac4b7c262b |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 2-hydroxy-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-olate |
| 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) |
| InChI Key | LKLWVKCEYSPQHL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-olate](https://plantaedb.com/storage/docs/compounds/2023/11/247487b0-8560-11ee-9018-c361c6e66c1c.jpg "2D Structure of 2-hydroxy-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-olate")
| 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 | 98.19% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.12% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.03% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.81% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.77% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.06% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.10% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.33% | 95.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.24% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.51% | 99.17% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.43% | 88.48% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.03% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.68% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.22% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.77% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.20% | 86.33% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.74% | 96.76% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.44% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.28% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.19% | 94.00% |
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 tetrandra |
| PubChem | 163192411 |
| LOTUS | LTS0049822 |
| wikiData | Q105153119 |