(1S,3S)-7-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
| Internal ID | 0475744c-6849-49ed-a278-5b72648a1ee2 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1S,3S)-7-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C(N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)O)C)O |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=C2[C@@H](N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)O)C)O |
| InChI | InChI=1S/C24H27NO4/c1-12-8-17-16(6-7-20(28-4)22(17)18(26)9-12)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13-14,25-27H,10H2,1-5H3/t13-,14-/m0/s1 |
| InChI Key | HSQJSFUDBQYFJE-KBPBESRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.37% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 97.18% | 91.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.46% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.13% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.67% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.60% | 96.21% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.74% | 97.31% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.68% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.57% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.99% | 95.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.11% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.87% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.67% | 98.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.65% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.76% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.94% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.53% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.78% | 96.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.54% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.20% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.13% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.87% | 92.98% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.29% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.18% | 99.15% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.66% | 95.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.34% | 95.78% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.32% | 96.67% |
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.
| Ancistrocladus griffithii |
| PubChem | 101204923 |
| LOTUS | LTS0046641 |
| wikiData | Q105033206 |