(13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,10-diol
| Internal ID | c9daf311-7770-4ce2-8d49-a663227fc5d1 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,10-diol |
| SMILES (Canonical) | COC1=C(C(=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C2[C@@H]3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O)OC |
| InChI | InChI=1S/C20H23NO5/c1-24-16-9-12-6-7-21-10-13-11(4-5-15(22)19(13)25-2)8-14(21)17(12)18(23)20(16)26-3/h4-5,9,14,22-23H,6-8,10H2,1-3H3/t14-/m0/s1 |
| InChI Key | OVJXYLKOQXXUAJ-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,10-diol](https://plantaedb.com/storage/docs/compounds/2023/11/13as-239-trimethoxy-681313a-tetrahydro-5h-isoquinolino21-bisoquinoline-110-diol.jpg "2D Structure of (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,10-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 |
|---|---|---|---|---|
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.20% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.72% | 93.40% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.17% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.93% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.24% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.34% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.89% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.89% | 88.48% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.75% | 91.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.49% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.71% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.50% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.17% | 93.99% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.01% | 95.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.82% | 82.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.42% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.60% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.33% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.47% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.48% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.87% | 85.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.86% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.84% | 98.95% |
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.
| Corydalis pallida |
| Stephania suberosa |
| PubChem | 14263918 |
| LOTUS | LTS0171625 |
| wikiData | Q105200771 |