(1S,3S)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
| Internal ID | df9dd6e8-1dfe-4444-9787-e1bd55ac1728 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1S,3S)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C(N1)C)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=C2[C@@H](N1)C)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O |
| InChI | InChI=1S/C24H27NO4/c1-12-9-19(29-5)22-16(7-6-8-18(22)28-4)20(12)23-17(26)11-15-10-13(2)25-14(3)21(15)24(23)27/h6-9,11,13-14,25-27H,10H2,1-5H3/t13-,14-/m0/s1 |
| InChI Key | CLSGZQJMVHGNKX-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.41% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.55% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.55% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.76% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.63% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.02% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.50% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.85% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.64% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.43% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.33% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.90% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.31% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.60% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.26% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.21% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.61% | 85.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.54% | 94.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.46% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.29% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.88% | 91.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.54% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.92% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.86% | 97.21% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.33% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.09% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.99% | 99.17% |
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 | 9977888 |
| LOTUS | LTS0085478 |
| wikiData | Q104963874 |