(1S)-5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
| Internal ID | 54cf7522-79ba-41ab-b0b9-b9e9b146f170 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3CCN2)OC)OC)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C[C@H]2C3=CC(=C(C(=C3CCN2)OC)OC)OC |
| InChI | InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3/t17-/m0/s1 |
| InChI Key | CMQSBRRTRZPLHE-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1S)-5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/1s-567-trimethoxy-1-4-methoxyphenylmethyl-1234-tetrahydroisoquinoline.jpg "2D Structure of (1S)-5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline")
| 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 | 98.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.27% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.70% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.44% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.10% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.71% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.84% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.69% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.47% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.86% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.70% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.26% | 85.14% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.09% | 95.12% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.68% | 95.50% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.36% | 92.68% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.90% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.36% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.68% | 97.25% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.80% | 91.96% |
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.
| Xylopia parviflora |
| PubChem | 162906358 |
| LOTUS | LTS0276145 |
| wikiData | Q104965031 |