1-[[5-hydroxy-4-methoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
| Internal ID | 9e86d97c-86f5-486d-92d3-adf8c814ed8f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 1-[[5-hydroxy-4-methoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)O)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)O)O)OC)OC)OC |
| InChI | InChI=1S/C39H44N2O8/c1-40-10-8-21-15-32(44-3)30(43)18-25(21)27(40)13-24-14-29(42)33(45-4)20-31(24)49-35-17-23-12-28-37-22(9-11-41(28)2)16-36(47-6)39(48-7)38(37)26(23)19-34(35)46-5/h14-20,27-28,42-43H,8-13H2,1-7H3 |
| InChI Key | YUHPJUJTENZURH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H44N2O8 |
| Molecular Weight | 668.80 g/mol |
| Exact Mass | 668.30976637 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 1-[[5-hydroxy-4-methoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ab2a2600-8493-11ee-90d5-07b6bdfeb30f.jpg "2D Structure of 1-[[5-hydroxy-4-methoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-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 | 99.43% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.45% | 85.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 98.17% | 91.79% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.00% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.41% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.79% | 98.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 91.96% | 88.48% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.90% | 89.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.61% | 96.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.59% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.21% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.63% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.43% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.39% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.03% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.01% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.52% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.43% | 86.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.41% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.27% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.15% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.90% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.53% | 93.03% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.22% | 95.34% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.37% | 96.25% |
| 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.
| Thalictrum revolutum |
| PubChem | 14379242 |
| LOTUS | LTS0193261 |
| wikiData | Q105362919 |