(2R,9R,13bS)-9-hydroxy-2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
| Internal ID | 70518784-f2d5-4866-9588-bd35f29ab243 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2R,9R,13bS)-9-hydroxy-2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one |
| SMILES (Canonical) | COC1CC23C(=CC(=O)N2CC(C4=CC(=C(C=C34)OC)OC)O)C=C1 |
| SMILES (Isomeric) | CO[C@@H]1C[C@@]23C(=CC(=O)N2C[C@@H](C4=CC(=C(C=C34)OC)OC)O)C=C1 |
| InChI | InChI=1S/C19H21NO5/c1-23-12-5-4-11-6-18(22)20-10-15(21)13-7-16(24-2)17(25-3)8-14(13)19(11,20)9-12/h4-8,12,15,21H,9-10H2,1-3H3/t12-,15-,19-/m0/s1 |
| InChI Key | HZOHTLMLLIVQEA-ODYMNIRHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (2R,9R,13bS)-9-hydroxy-2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r9r13bs-9-hydroxy-21112-trimethoxy-1289-tetrahydroindolo7a1-aisoquinolin-6-one.jpg "2D Structure of (2R,9R,13bS)-9-hydroxy-2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.86% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.79% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.95% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.09% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.72% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.36% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.17% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.78% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.69% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.90% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.68% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.56% | 82.69% |
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 lysistemon |
| PubChem | 11484680 |
| LOTUS | LTS0167822 |
| wikiData | Q105035769 |