1-[[4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | 51cda1dd-13cb-4cdd-8087-bd2d84359342 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-[[4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)OC)OC)OC |
| InChI | InChI=1S/C40H46N2O8/c1-41-13-11-22-17-32(45-4)29(43)20-26(22)27(41)16-25-19-33(46-5)34(47-6)21-31(25)50-40-35(48-7)18-24-12-14-42(2)28-15-23-9-10-30(44-3)39(49-8)37(23)38(40)36(24)28/h9-10,17-21,27-28,43H,11-16H2,1-8H3 |
| InChI Key | UIXXHKFZZFPZMM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H46N2O8 |
| Molecular Weight | 682.80 g/mol |
| Exact Mass | 682.32541643 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 1-[[4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9a21d760-85f1-11ee-b1d9-9d1b92e39640.jpg "2D Structure of 1-[[4,5-dimethoxy-2-[(2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.46% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.34% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.18% | 93.99% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 98.07% | 96.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.96% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.96% | 91.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.79% | 89.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.63% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.27% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.82% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.39% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.61% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.44% | 92.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.32% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.18% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.02% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.97% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.54% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.93% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.39% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.32% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.88% | 92.94% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.36% | 96.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.26% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.82% | 89.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.25% | 95.78% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.05% | 95.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.87% | 93.40% |
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.
| Thalictrum urbaini |
| PubChem | 85245951 |
| LOTUS | LTS0138645 |
| wikiData | Q105273706 |