2,11,12-Trimethoxy-1,2,5,6-tetrahydroindolo[7a,1-a]isoquinoline-3,8,9-trione
| Internal ID | 60645176-1e3f-4a80-b49c-4b77331117e8 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | 2,11,12-trimethoxy-1,2,5,6-tetrahydroindolo[7a,1-a]isoquinoline-3,8,9-trione |
| SMILES (Canonical) | COC1CC23C(=CC1=O)CCN2C(=O)C(=O)C4=CC(=C(C=C34)OC)OC |
| SMILES (Isomeric) | COC1CC23C(=CC1=O)CCN2C(=O)C(=O)C4=CC(=C(C=C34)OC)OC |
| InChI | InChI=1S/C19H19NO6/c1-24-14-7-11-12(8-15(14)25-2)19-9-16(26-3)13(21)6-10(19)4-5-20(19)18(23)17(11)22/h6-8,16H,4-5,9H2,1-3H3 |
| InChI Key | QKDKQEMXPXECKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO6 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 2,11,12-Trimethoxy-1,2,5,6-tetrahydroindolo[7a,1-a]isoquinoline-3,8,9-trione](https://plantaedb.com/storage/docs/compounds/2023/11/21112-trimethoxy-1256-tetrahydroindolo7a1-aisoquinoline-389-trione.jpg "2D Structure of 2,11,12-Trimethoxy-1,2,5,6-tetrahydroindolo[7a,1-a]isoquinoline-3,8,9-trione")
| 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 | 96.92% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.34% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.59% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.39% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.63% | 93.40% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.00% | 96.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.65% | 94.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.13% | 97.14% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.85% | 94.45% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.55% | 96.86% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.24% | 95.12% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.82% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.74% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.52% | 86.33% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.38% | 95.53% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.92% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.80% | 94.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.53% | 82.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.41% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.39% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.32% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.96% | 82.69% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.90% | 95.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.78% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.49% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.68% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.66% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.32% | 90.00% |
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.
| Erythrina subumbrans |
| PubChem | 162983414 |
| LOTUS | LTS0117481 |
| wikiData | Q105223024 |