2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
| Internal ID | 32394060-c6bb-491c-a92d-d1c3e708d4ee |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol |
| SMILES (Canonical) | COC1=C(C=C2CN3CCC4=CC(=C(C=C4C3CC2=C1)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2CN3CCC4=CC(=C(C=C4C3CC2=C1)OC)O)OC |
| InChI | InChI=1S/C20H23NO4/c1-23-18-10-15-12(7-17(18)22)4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(15)21/h7-10,16,22H,4-6,11H2,1-3H3 |
| InChI Key | FSKPDOZBWMKQBY-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) | 51.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/21011-trimethoxy-681313a-tetrahydro-5h-isoquinolino21-bisoquinolin-3-ol.jpg "2D Structure of 2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2056 | P21728 | Dopamine D1 receptor |
670 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.44% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.17% | 95.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.57% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.81% | 91.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.24% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.23% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.67% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.68% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.59% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.82% | 89.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.74% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.20% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.19% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.84% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.04% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.17% | 82.38% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.11% | 96.86% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.39% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.04% | 90.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.86% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.79% | 90.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.00% | 96.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.03% | 99.17% |
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.
| Duguetia confinis |
| Xylopia discreta |
| Xylopia parviflora |
| PubChem | 12309269 |
| LOTUS | LTS0258147 |
| wikiData | Q105000703 |