(6aS)-8-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
| Internal ID | fb40dc1c-c1f5-4a48-8800-3d4d07e9bc6d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (6aS)-8-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)O |
| InChI | InChI=1S/C39H44N2O8/c1-40-14-12-22-17-31(44-3)30(42)19-25(22)28(40)16-21-8-10-23(11-9-21)49-36-27-18-29-33-24(13-15-41(29)2)37(46-5)39(48-7)38(47-6)34(33)26(27)20-32(45-4)35(36)43/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3/t28-,29-/m0/s1 |
| InChI Key | NSUCANVLELVCPO-VMPREFPWSA-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 (6aS)-8-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5c296bc0-8549-11ee-82ff-7b4eb7343de2.jpg "2D Structure of (6aS)-8-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-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 | 99.57% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 98.49% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.62% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.62% | 85.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 97.62% | 91.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.90% | 91.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 96.73% | 95.89% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 96.51% | 95.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.51% | 90.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 94.63% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.63% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.06% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.38% | 99.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.89% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.66% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.66% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.19% | 96.76% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 90.29% | 95.53% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.23% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.16% | 92.62% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 88.61% | 94.05% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.87% | 88.48% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.41% | 94.45% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.32% | 97.53% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.97% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.49% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.15% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.51% | 93.65% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.86% | 95.78% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.64% | 82.38% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.81% | 90.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.14% | 92.94% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 83.02% | 91.96% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.96% | 97.25% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 81.66% | 95.70% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.48% | 96.25% |
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 cultratum |
| Thalictrum faberi |
| PubChem | 10484580 |
| LOTUS | LTS0002118 |
| wikiData | Q104403079 |