(1S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
| Internal ID | 817442bf-99bd-404e-ac3c-fbdadcd9ef2d |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline |
| SMILES (Canonical) | CC1=CC(=C(C=C1CC2C3=CC(=C(C(=C3CCN2)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CC1=CC(=C(C=C1C[C@H]2C3=CC(=C(C(=C3CCN2)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C22H29NO5/c1-13-9-18(24-2)19(25-3)11-14(13)10-17-16-12-20(26-4)22(28-6)21(27-5)15(16)7-8-23-17/h9,11-12,17,23H,7-8,10H2,1-6H3/t17-/m0/s1 |
| InChI Key | YMHGNTFBIWALCF-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO5 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 58.20 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/1s-1-45-dimethoxy-2-methylphenylmethyl-567-trimethoxy-1234-tetrahydroisoquinoline.jpg "2D Structure of (1S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-5,6,7-trimethoxy-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 | 95.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.21% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.37% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.92% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.72% | 92.98% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.92% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.62% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.32% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.96% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.75% | 85.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.70% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.48% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.19% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.63% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.51% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.25% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.14% | 96.95% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.06% | 89.32% |
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.
| Ocotea pittieri |
| PubChem | 162885949 |
| LOTUS | LTS0108066 |
| wikiData | Q105350533 |