(2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-yl) acetate
| Internal ID | af95cdf4-12d5-442f-b3cb-beb268f57f07 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CN2CC=C3C2(CC(C=C3)OC)C4=CC(=C(C=C14)OC)OC |
| SMILES (Isomeric) | CC(=O)OC1CN2CC=C3C2(CC(C=C3)OC)C4=CC(=C(C=C14)OC)OC |
| InChI | InChI=1S/C21H25NO5/c1-13(23)27-20-12-22-8-7-14-5-6-15(24-2)11-21(14,22)17-10-19(26-4)18(25-3)9-16(17)20/h5-7,9-10,15,20H,8,11-12H2,1-4H3 |
| InChI Key | UIOSDHZVQOEUNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO5 |
| Molecular Weight | 371.40 g/mol |
| Exact Mass | 371.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/21112-trimethoxy-2689-tetrahydro-1h-indolo7a1-aisoquinolin-9-yl-acetate.jpg "2D Structure of (2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-yl) acetate")
| 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 | 99.27% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.85% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.03% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.72% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.14% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.96% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.81% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.60% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.24% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.85% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.78% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.17% | 97.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.60% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.55% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.28% | 97.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.46% | 89.62% |
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 arborescens |
| PubChem | 162983272 |
| LOTUS | LTS0148370 |
| wikiData | Q105273517 |