3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
| Internal ID | 9f3b9a6a-d092-49e3-a107-b5ff0a6721fd |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol |
| SMILES (Canonical) | COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=CC=C4)O)O |
| SMILES (Isomeric) | COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=CC=C4)O)O |
| InChI | InChI=1S/C18H19NO3/c1-22-18-8-12-5-6-19-10-14-11(3-2-4-16(14)20)7-15(19)13(12)9-17(18)21/h2-4,8-9,15,20-21H,5-7,10H2,1H3 |
| InChI Key | XYGPDXJMMAHCFZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO3 |
| Molecular Weight | 297.30 g/mol |
| Exact Mass | 297.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-methoxy-681313a-tetrahydro-5h-isoquinolino21-bisoquinoline-29-diol.jpg "2D Structure of 3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-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 | 98.88% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.05% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.12% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.16% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.54% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.49% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.71% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.47% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.24% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.22% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.64% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.39% | 85.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 89.22% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.23% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.12% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.48% | 88.48% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.79% | 82.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.19% | 89.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.34% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10357273 |
| LOTUS | LTS0133446 |
| wikiData | Q105344477 |