(2R,13bS)-2,11,12-trimethoxy-1,2,6,9-tetrahydroindolo[7a,1-a]isoquinolin-8-one
| Internal ID | 05b3f37b-6031-4e06-bc4c-2021333cb034 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2R,13bS)-2,11,12-trimethoxy-1,2,6,9-tetrahydroindolo[7a,1-a]isoquinolin-8-one |
| SMILES (Canonical) | COC1CC23C(=CCN2C(=O)CC4=CC(=C(C=C34)OC)OC)C=C1 |
| SMILES (Isomeric) | CO[C@@H]1C[C@@]23C(=CCN2C(=O)CC4=CC(=C(C=C34)OC)OC)C=C1 |
| InChI | InChI=1S/C19H21NO4/c1-22-14-5-4-13-6-7-20-18(21)9-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-6,8,10,14H,7,9,11H2,1-3H3/t14-,19-/m0/s1 |
| InChI Key | NGGHEXQRXXSCCU-LIRRHRJNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (2R,13bS)-2,11,12-trimethoxy-1,2,6,9-tetrahydroindolo[7a,1-a]isoquinolin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r13bs-21112-trimethoxy-1269-tetrahydroindolo7a1-aisoquinolin-8-one.jpg "2D Structure of (2R,13bS)-2,11,12-trimethoxy-1,2,6,9-tetrahydroindolo[7a,1-a]isoquinolin-8-one")
| 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 | 97.55% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.58% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.70% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.40% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.96% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.30% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.99% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.55% | 91.11% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.31% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.51% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.79% | 91.07% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.63% | 92.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.30% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.04% | 89.63% |
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 pallida |
| PubChem | 162991364 |
| LOTUS | LTS0252789 |
| wikiData | Q105178893 |