(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
| Internal ID | 7a12b72b-fd5e-4e0c-8982-546ab80d383e |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2)O)OC)O |
| InChI | InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-18(23-2)16(21)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1 |
| InChI Key | IZAGEUPZVNIFBT-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.40 g/mol |
| Exact Mass | 315.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s-1-3-hydroxy-4-methoxyphenylmethyl-7-methoxy-1234-tetrahydroisoquinolin-6-ol.jpg "2D Structure of (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol")
| 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 | 98.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.61% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.73% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.77% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.36% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.86% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.58% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.25% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.98% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.19% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.48% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.78% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.28% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.99% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.23% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.09% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.28% | 92.94% |
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.
| Erythrina variegata |
| PubChem | 101939224 |
| LOTUS | LTS0134554 |
| wikiData | Q105123084 |