2-Hydroxy-3-methoxy-6-[(6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]benzoic acid
| Internal ID | 28ae83cf-d399-4b0d-9e35-8242ed3fd3ed |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | 2-hydroxy-3-methoxy-6-[(6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H19NO6/c1-21-6-5-11-8-16-17(27-10-26-16)9-13(11)14(21)7-12-3-4-15(25-2)19(22)18(12)20(23)24/h3-4,8-9H,5-7,10H2,1-2H3,(H-,22,23,24)/p+1 |
| InChI Key | SXLFERPVSBEKKI-UHFFFAOYSA-O |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20NO6+ |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.12906236 g/mol |
| Topological Polar Surface Area (TPSA) | 88.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 2-Hydroxy-3-methoxy-6-[(6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/13f42f20-85bc-11ee-aeea-6721c857ab05.jpg "2D Structure of 2-Hydroxy-3-methoxy-6-[(6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]benzoic 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 | 95.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.90% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.03% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.89% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.19% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.63% | 96.77% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.58% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.16% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.11% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.98% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.91% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.94% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.81% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.63% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.15% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.97% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.21% | 95.89% |
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.
| Hypecoum leptocarpum |
| PubChem | 5318973 |
| LOTUS | LTS0054114 |
| wikiData | Q105263183 |