(1S)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | 0c62c9ee-b2ec-4cf7-a887-5e451cf5e630 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Benzylisoquinolines |
| IUPAC Name | (1S)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | CC1C2=CC(=C(C=C2CCN1CC3=CC(=C(C=C3)OC)O)O)OC |
| SMILES (Isomeric) | C[C@H]1C2=CC(=C(C=C2CCN1CC3=CC(=C(C=C3)OC)O)O)OC |
| InChI | InChI=1S/C19H23NO4/c1-12-15-10-19(24-3)17(22)9-14(15)6-7-20(12)11-13-4-5-18(23-2)16(21)8-13/h4-5,8-10,12,21-22H,6-7,11H2,1-3H3/t12-/m0/s1 |
| InChI Key | MVYDGBDFTMESDC-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1S)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s-2-3-hydroxy-4-methoxyphenylmethyl-7-methoxy-1-methyl-34-dihydro-1h-isoquinolin-6-ol.jpg "2D Structure of (1S)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-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 | 99.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 93.20% | 97.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.85% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.55% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.11% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.94% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.70% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.86% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.52% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.71% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.68% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.61% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.55% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.25% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.61% | 99.17% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 82.93% | 91.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.09% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.25% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.24% | 98.75% |
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.
| Berberis nummularia |
| PubChem | 163040189 |
| LOTUS | LTS0075152 |
| wikiData | Q105173438 |