(1S,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-6-ol
| Internal ID | ee16a1f3-2e05-4e75-8c17-87ee209a987f |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
| IUPAC Name | (1S,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-6-ol |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1C)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](N1C)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C |
| InChI | InChI=1S/C26H31NO4/c1-14-10-18-17(8-9-21(29-5)26(18)22(11-14)30-6)25-19-12-15(2)27(4)16(3)24(19)23(31-7)13-20(25)28/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16+/m1/s1 |
| InChI Key | RNLKCMIGQLHEKX-CVEARBPZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H31NO4 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 5.40 |
| 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 | 99.39% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 96.11% | 97.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.63% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.62% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.52% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.31% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.87% | 93.99% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.51% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.85% | 92.94% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.81% | 88.48% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.19% | 94.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.33% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.66% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.14% | 93.40% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.89% | 95.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.61% | 99.17% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.25% | 96.67% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.50% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
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 | 162942967 |
| LOTUS | LTS0264788 |
| wikiData | Q105241516 |