(1R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
| Internal ID | 28e00677-032e-4573-866c-20296c567838 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H19NO4/c1-18(22)7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3/t15-,18?/m1/s1 |
| InChI Key | NBVMNDIZMDPDMC-NNJIEVJOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.34 g/mol |
| Exact Mass | 301.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r-1-4-hydroxyphenylmethyl-2-methyl-2-oxido-34-dihydro-1h-isoquinolin-2-ium-67-diol.jpg "2D Structure of (1R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol")
| 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 | 97.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.94% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.89% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.60% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.65% | 93.40% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.72% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.72% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.70% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.16% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.62% | 97.25% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.91% | 96.69% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.22% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.88% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.66% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.26% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.18% | 91.49% |
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.
| Gnetum parvifolium |
| PubChem | 163190341 |
| LOTUS | LTS0086222 |
| wikiData | Q105177025 |