(1S,3S)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
| Internal ID | 19403a98-ff02-4083-ad13-8c6296fffc40 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1S,3S)-7-(4,5-dimethoxy-2-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=CC=C(C4=C(C=C3C)OC)OC)O |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=C2[C@@H](N1)C)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O |
| InChI | InChI=1S/C25H29NO4/c1-13-10-20(29-5)23-17(8-7-9-19(23)28-4)21(13)24-18(27)12-16-11-14(2)26-15(3)22(16)25(24)30-6/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15-/m0/s1 |
| InChI Key | RPYYNECGOSGRFR-GJZGRUSLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29NO4 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.20965841 g/mol |
| Topological Polar Surface Area (TPSA) | 60.00 Ų |
| XlogP | 5.00 |
| 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 | 98.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.22% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.55% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.21% | 93.99% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.78% | 91.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.38% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.52% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.46% | 86.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.19% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.03% | 99.15% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.19% | 94.03% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.17% | 96.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.40% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.62% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.55% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.31% | 89.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.70% | 92.98% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.58% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.39% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.19% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.91% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.93% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.20% | 89.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.04% | 93.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.90% | 91.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.76% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.63% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.27% | 93.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.59% | 90.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.18% | 96.00% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 80.41% | 89.76% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.24% | 97.31% |
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 ealaensis |
| Ancistrocladus robertsoniorum |
| PubChem | 72375881 |
| LOTUS | LTS0232767 |
| wikiData | Q105243152 |