(2S,3R,4R,5R,6S)-2-methyl-6-[4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]oxane-3,4,5-triol
| Internal ID | eefea0a1-08db-459f-8b81-6a01c6871cfe |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC3C4=CC(=C(C(=C4CCN3C)OC)OC)OC)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C[C@@H]3C4=CC(=C(C(=C4CCN3C)OC)OC)OC)O)O)O |
| InChI | InChI=1S/C26H35NO8/c1-14-21(28)22(29)23(30)26(34-14)35-16-8-6-15(7-9-16)12-19-18-13-20(31-3)25(33-5)24(32-4)17(18)10-11-27(19)2/h6-9,13-14,19,21-23,26,28-30H,10-12H2,1-5H3/t14-,19+,21-,22+,23+,26-/m0/s1 |
| InChI Key | YELKLSIRFNKMFQ-BWNGKWBCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H35NO8 |
| Molecular Weight | 489.60 g/mol |
| Exact Mass | 489.23626707 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/7f9d4a80-855e-11ee-bc58-0d95988caae9.jpg "2D Structure of (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.31% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.00% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 95.49% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.22% | 90.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 94.67% | 95.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.94% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.91% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.51% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.63% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.26% | 92.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.00% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.55% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.63% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.23% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.16% | 98.75% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.88% | 98.46% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.20% | 91.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.14% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.13% | 82.38% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.09% | 95.53% |
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.
| Thalictrum fendleri |
| PubChem | 162894554 |
| LOTUS | LTS0160266 |
| wikiData | Q105347295 |