(2R,3S,4R,5R,6S)-2-[4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | b3dc1085-1ba4-4dfd-b2f2-e551b6c83682 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (2R,3S,4R,5R,6S)-2-[4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15-,18-,19-,20+,21-,22-/m0/s1 |
| InChI Key | OEUGQYOMKCJJLJ-DWANLCRTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H27NO8 |
| Molecular Weight | 433.50 g/mol |
| Exact Mass | 433.17366682 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4R,5R,6S)-2-[4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/eca1f4f0-861d-11ee-b85a-e7f5018bf59b.jpg "2D Structure of (2R,3S,4R,5R,6S)-2-[4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.70% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.48% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.96% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.18% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.92% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.84% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.56% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.65% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.22% | 95.83% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.58% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.09% | 91.49% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.75% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.55% | 92.62% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.30% | 85.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.89% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.33% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.25% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.07% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.04% | 91.71% |
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.
| Phoebe chekiangensis |
| PubChem | 163028051 |
| LOTUS | LTS0136906 |
| wikiData | Q105190554 |