(1R,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline
| Internal ID | 5086c08a-ec5b-470d-8941-aa3e2997a3e6 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1R,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1C)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC |
| SMILES (Isomeric) | C[C@H]1CC2=C(C(=CC(=C2[C@H](N1C)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC |
| InChI | InChI=1S/C27H33NO4/c1-15-12-21(30-6)26-18(10-9-11-20(26)29-5)24(15)27-19-13-16(2)28(4)17(3)25(19)22(31-7)14-23(27)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17+/m0/s1 |
| InChI Key | KKJVVBRCACGMIS-DLBZAZTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33NO4 |
| Molecular Weight | 435.60 g/mol |
| Exact Mass | 435.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 5.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.14% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.04% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.75% | 89.62% |
| CHEMBL240 | Q12809 | HERG | 95.07% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.13% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.44% | 93.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.50% | 97.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 89.74% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.65% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.29% | 97.31% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.30% | 94.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.82% | 91.11% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.77% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.69% | 89.00% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 86.42% | 96.42% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.23% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.39% | 93.65% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 84.06% | 89.76% |
| CHEMBL2337 | P48067 | Glycine transporter 1 | 83.93% | 95.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.57% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.41% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.72% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.45% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.35% | 93.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.17% | 91.00% |
| CHEMBL4599 | Q07912 | Tyrosine kinase non-receptor protein 2 | 81.25% | 94.29% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.97% | 92.62% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.67% | 83.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 89.50% |
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 robertsoniorum |
| PubChem | 10646544 |
| LOTUS | LTS0107175 |
| wikiData | Q105142218 |