2-[(2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid
| Internal ID | cd272df0-9783-4446-afb9-085272c86310 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | 2-[(2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid |
| SMILES (Canonical) | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OS(=O)(=O)CC(=O)O)OC)C=C1 |
| SMILES (Isomeric) | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OS(=O)(=O)CC(=O)O)OC)C=C1 |
| InChI | InChI=1S/C20H23NO7S/c1-26-15-4-3-14-6-8-21-7-5-13-9-17(27-2)18(10-16(13)20(14,21)11-15)28-29(24,25)12-19(22)23/h3-4,6,9-10,15H,5,7-8,11-12H2,1-2H3,(H,22,23) |
| InChI Key | TZPLXTDTCOMZQQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO7S |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.11952325 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 2-[(2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-211-dimethoxy-2689-tetrahydro-1h-indolo7a1-aisoquinolin-12-yloxysulfonylacetic-acid.jpg "2D Structure of 2-[(2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid")
| 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 | 99.38% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.40% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.53% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.71% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.18% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.33% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.88% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.58% | 95.89% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.32% | 92.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.11% | 95.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.01% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.50% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 81.75% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.59% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.39% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.98% | 100.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.86% | 96.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.34% | 97.21% |
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 fusca |
| PubChem | 12308894 |
| LOTUS | LTS0076902 |
| wikiData | Q105268310 |