(13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
| Internal ID | f0a55ca0-222b-4ccf-b368-13a2080c42a3 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| SMILES (Canonical) | CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC |
| SMILES (Isomeric) | CC1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC |
| InChI | InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13?,21-/m1/s1 |
| InChI Key | VRSRXLJTYQVOHC-QUXALOBESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H27NO4 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/13ar-23910-tetramethoxy-13-methyl-681313a-tetrahydro-5h-isoquinolino21-bisoquinoline.jpg "2D Structure of (13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline")
| 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 | 97.75% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.34% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.03% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.04% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.42% | 98.75% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 91.14% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.51% | 92.98% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.53% | 89.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.47% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.01% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.56% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.94% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.54% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.20% | 95.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.89% | 96.86% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.62% | 89.05% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.36% | 82.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.97% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.97% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.09% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.48% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.64% | 90.24% |
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.
| Berberis floribunda |
| Corydalis nobilis |
| Corydalis solida |
| Corydalis yanhusuo |
| PubChem | 5316092 |
| LOTUS | LTS0190899 |
| wikiData | Q105291936 |