(1R,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
| Internal ID | 4d73a831-6936-4aeb-be90-5fa64bb9fbbd |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1R,3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C |
| SMILES (Isomeric) | C[C@H]1CC2=C(C(=CC(=C2[C@H](N1)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C |
| InChI | InChI=1S/C25H29NO4/c1-13-9-17-16(7-8-20(28-4)25(17)21(10-13)29-5)24-18-11-14(2)26-15(3)23(18)22(30-6)12-19(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15+/m0/s1 |
| InChI Key | XVHCBOXBWSMNHG-LSDHHAIUSA-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.73% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.71% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.24% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.48% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.37% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.93% | 90.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.51% | 97.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.35% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.76% | 89.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.35% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.31% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.60% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.25% | 94.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.94% | 95.12% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.92% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.60% | 94.45% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.30% | 88.48% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.51% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.88% | 93.03% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.61% | 97.53% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.35% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.77% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.62% | 94.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.57% | 91.00% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 81.33% | 97.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.51% | 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 abbreviatus |
| Ancistrocladus robertsoniorum |
| PubChem | 162977286 |
| LOTUS | LTS0162465 |
| wikiData | Q105342880 |